CAS 874594-03-3 | 5-(Pyrrolidin-1-ylsulfonyl);indoline | CAS Number 874594-03-3

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874594-03-3 | 5-(Pyrrolidin-1-ylsulfonyl);indoline

CAS No: 874594-03-3 Catalog No: AG004HH5 MDL No:MFCD07687993

Product Description

Catalog Number:

AG004HH5

Chemical Name:

5-(Pyrrolidin-1-ylsulfonyl);indoline

CAS Number:

874594-03-3

Molecular Formula:

C12H16N2O2S

Molecular Weight:

252.3326

MDL Number:

MFCD07687993

IUPAC Name:

5-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1H-indole

InChI:

InChI=1S/C12H16N2O2S/c15-17(16,14-7-1-2-8-14)11-3-4-12-10(9-11)5-6-13-12/h3-4,9,13H,1-2,5-8H2

InChI Key:

WSDYMOFKGXULNK-UHFFFAOYSA-N

SMILES:

O=S(=O)(c1ccc2c(c1)CCN2)N1CCCC1

Properties

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.332g/mol

Monoisotopic Mass:

252.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501