N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide

C7H14N2O3S — CID 94061079

IUPACN-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-6-4-2-3-5-8-7(6)10/h6,9H,2-5H2,1H3,(H,8,10)/t6-/m0/s1
InChIKeyAZGAZQRJOGDUGV-LURJTMIESA-N
MW206.27 g/mol
LogP-0.80
Rot. Bonds2

About N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide

N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide (PubChem CID 94061079) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
PubChem CID94061079
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C7H14N2O3S/c1-13(11,12)9-6-4-2-3-5-8-7(6)10/h6,9H,2-5H2,1H3,(H,8,10)/t6-/m0/s1
InChIKeyAZGAZQRJOGDUGV-LURJTMIESA-N
XLogP-0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide
CID 127491612
3-(2,2-dimethylhydrazinyl)azepan-2-one
CID 83014560
2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979851
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095
2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
CID 51079705
5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
CID 25042934
5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
CID 51891623
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
3-(3-methylsulfonylpropylamino)piperidin-2-one
CID 63191547
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide (CID 94061079) is N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide?
The InChIKey is AZGAZQRJOGDUGV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-13(11,12)9-6-4-2-3-5-8-7(6)10/h6,9H,2-5H2,1H3,(H,8,10)/t6-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide?
N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide is sourced from PubChem (CID 94061079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).