2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide

C12H22N2O3S — CID 43653004

IUPAC2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-10-4-2-3-9-14(10)18(16,17)13-11-5-7-12(15)8-6-11/h10-11,13H,2-9H2,1H3
InChIKeyQWDFVQMWTPFMFZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.21
Rot. Bonds3

About 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide

2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide (PubChem CID 43653004) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide
PubChem CID43653004
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H22N2O3S/c1-10-4-2-3-9-14(10)18(16,17)13-11-5-7-12(15)8-6-11/h10-11,13H,2-9H2,1H3
InChIKeyQWDFVQMWTPFMFZ-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide (CID 43653004) is 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide?
The InChIKey is QWDFVQMWTPFMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10-4-2-3-9-14(10)18(16,17)13-11-5-7-12(15)8-6-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide?
2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxocyclohexyl)piperidine-1-sulfonamide is sourced from PubChem (CID 43653004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).