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Home > Indoles and Oxindole > 651335-40-9
651335-40-9 | 1H-Indole, 1-(4-piperidinylmethyl)-3-(2-thienylsulfonyl)-
CAS No: 651335-40-9 Catalog No: AG006QDU MDL No:
Product Description
Catalog Number:
AG006QDU
Chemical Name:
1H-Indole, 1-(4-piperidinylmethyl)-3-(2-thienylsulfonyl)-
CAS Number:
651335-40-9
Molecular Formula:
C18H20N2O2S2
Molecular Weight:
360.4936
IUPAC Name:
1-(piperidin-4-ylmethyl)-3-thiophen-2-ylsulfonylindole
InChI:
InChI=1S/C18H20N2O2S2/c21-24(22,18-6-3-11-23-18)17-13-20(12-14-7-9-19-10-8-14)16-5-2-1-4-15(16)17/h1-6,11,13-14,19H,7-10,12H2
InChI Key:
RLUSEFXYHSSCMM-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cn(c2c1cccc2)CC1CCNCC1)c1cccs1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.49g/mol
Monoisotopic Mass:
360.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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