1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide

C12H22N2O3S — CID 127491612

IUPAC1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)CC1CCCC1
InChIInChI=1S/C12H22N2O3S/c15-12-11(7-3-4-8-13-12)14-18(16,17)9-10-5-1-2-6-10/h10-11,14H,1-9H2,(H,13,15)
InChIKeyGFYUKOMVOBYHGS-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.76
Rot. Bonds4

About 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide

1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide (PubChem CID 127491612) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide
PubChem CID127491612
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)CC1CCCC1
InChIInChI=1S/C12H22N2O3S/c15-12-11(7-3-4-8-13-12)14-18(16,17)9-10-5-1-2-6-10/h10-11,14H,1-9H2,(H,13,15)
InChIKeyGFYUKOMVOBYHGS-UHFFFAOYSA-N
XLogP0.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide (CID 127491612) is 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide is O=C1NCCCCC1NS(=O)(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide?
The InChIKey is GFYUKOMVOBYHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c15-12-11(7-3-4-8-13-12)14-18(16,17)9-10-5-1-2-6-10/h10-11,14H,1-9H2,(H,13,15).
What are the key properties of 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide?
1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-oxoazepan-3-yl)methanesulfonamide is sourced from PubChem (CID 127491612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).