N-(3-oxopentan-2-yl)azepane-1-sulfonamide

C11H22N2O3S — CID 64994212

IUPACN-(3-oxopentan-2-yl)azepane-1-sulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c1-3-11(14)10(2)12-17(15,16)13-8-6-4-5-7-9-13/h10,12H,3-9H2,1-2H3
InChIKeyDFNVXSRVUVAPLS-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.06
Rot. Bonds5

About N-(3-oxopentan-2-yl)azepane-1-sulfonamide

N-(3-oxopentan-2-yl)azepane-1-sulfonamide (PubChem CID 64994212) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-oxopentan-2-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-oxopentan-2-yl)azepane-1-sulfonamide
PubChem CID64994212
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-oxopentan-2-yl)azepane-1-sulfonamide
SMILESCCC(=O)C(C)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c1-3-11(14)10(2)12-17(15,16)13-8-6-4-5-7-9-13/h10,12H,3-9H2,1-2H3
InChIKeyDFNVXSRVUVAPLS-UHFFFAOYSA-N
XLogP1.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
N-(1,3-dihydroxypropan-2-yl)piperidine-1-sulfonamide
CID 65314238
diethyl 2-(piperidin-1-ylsulfonylamino)propanedioate
CID 43431744
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133

Frequently Asked Questions

What is the IUPAC name of N-(3-oxopentan-2-yl)azepane-1-sulfonamide?
The IUPAC name of N-(3-oxopentan-2-yl)azepane-1-sulfonamide (CID 64994212) is N-(3-oxopentan-2-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3-oxopentan-2-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(3-oxopentan-2-yl)azepane-1-sulfonamide is CCC(=O)C(C)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-oxopentan-2-yl)azepane-1-sulfonamide?
The InChIKey is DFNVXSRVUVAPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-11(14)10(2)12-17(15,16)13-8-6-4-5-7-9-13/h10,12H,3-9H2,1-2H3.
What are the key properties of N-(3-oxopentan-2-yl)azepane-1-sulfonamide?
N-(3-oxopentan-2-yl)azepane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopentan-2-yl)azepane-1-sulfonamide is sourced from PubChem (CID 64994212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).