(7-oxoazepan-4-yl)methanesulfonamide

C7H14N2O3S — CID 130621934

IUPAC(7-oxoazepan-4-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CCNC(=O)CC1
InChIInChI=1S/C7H14N2O3S/c8-13(11,12)5-6-1-2-7(10)9-4-3-6/h6H,1-5H2,(H,9,10)(H2,8,11,12)
InChIKeyUSJSAQJIBUTLAL-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.81
Rot. Bonds2

About (7-oxoazepan-4-yl)methanesulfonamide

(7-oxoazepan-4-yl)methanesulfonamide (PubChem CID 130621934) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (7-oxoazepan-4-yl)methanesulfonamide.

Molecular Properties

Compound Name(7-oxoazepan-4-yl)methanesulfonamide
PubChem CID130621934
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(7-oxoazepan-4-yl)methanesulfonamide
SMILESNS(=O)(=O)CC1CCNC(=O)CC1
InChIInChI=1S/C7H14N2O3S/c8-13(11,12)5-6-1-2-7(10)9-4-3-6/h6H,1-5H2,(H,9,10)(H2,8,11,12)
InChIKeyUSJSAQJIBUTLAL-UHFFFAOYSA-N
XLogP-0.81
TPSA89.26 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 ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)azepan-2-one
CID 75481334
5-aminoazepan-2-one;ethane
CID 142912069
5-hydroxyazepan-2-one
CID 14609266
4-(2,2-dimethylpropyl)piperidin-2-one
CID 76727513
4-(2-hydroxyethyl)piperidin-2-one
CID 70203271
5-(aminomethyl)piperidin-2-one
CID 10749203
(4R)-4-(methoxymethyl)piperidin-2-one
CID 124538037
(5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one
CID 131201474
(5S)-5-methylazepan-2-one
CID 51419001
5-sulfanylazepan-2-one
CID 87332653
[4-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 57070298
[5-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681920

Frequently Asked Questions

What is the IUPAC name of (7-oxoazepan-4-yl)methanesulfonamide?
The IUPAC name of (7-oxoazepan-4-yl)methanesulfonamide (CID 130621934) is (7-oxoazepan-4-yl)methanesulfonamide.
What is the SMILES notation for (7-oxoazepan-4-yl)methanesulfonamide?
The canonical SMILES for (7-oxoazepan-4-yl)methanesulfonamide is NS(=O)(=O)CC1CCNC(=O)CC1.
What is the InChIKey of (7-oxoazepan-4-yl)methanesulfonamide?
The InChIKey is USJSAQJIBUTLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c8-13(11,12)5-6-1-2-7(10)9-4-3-6/h6H,1-5H2,(H,9,10)(H2,8,11,12).
What are the key properties of (7-oxoazepan-4-yl)methanesulfonamide?
(7-oxoazepan-4-yl)methanesulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxoazepan-4-yl)methanesulfonamide is sourced from PubChem (CID 130621934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).