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1593771-60-8 | 2-(azepan-1-yl)-2-oxoethane-1-sulfonamide
CAS No: 1593771-60-8 Catalog No: AG01B3Q5 MDL No:MFCD28149751
Product Description
Catalog Number:
AG01B3Q5
Chemical Name:
2-(azepan-1-yl)-2-oxoethane-1-sulfonamide
CAS Number:
1593771-60-8
Molecular Formula:
C8H16N2O3S
Molecular Weight:
220.2892
MDL Number:
MFCD28149751
IUPAC Name:
2-(azepan-1-yl)-2-oxoethanesulfonamide
InChI:
InChI=1S/C8H16N2O3S/c9-14(12,13)7-8(11)10-5-3-1-2-4-6-10/h1-7H2,(H2,9,12,13)
InChI Key:
IYUBQOVEZPYYJF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1)CS(=O)(=O)N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.287g/mol
Monoisotopic Mass:
220.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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