1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide

C13H26N2O2S — CID 56790967

IUPAC1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-15-9-7-13(8-10-15)14-18(16,17)11-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3
InChIKeyRQLJZZRSUKVHBL-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.58
Rot. Bonds4

About 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide

1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide (PubChem CID 56790967) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
PubChem CID56790967
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CC2CCCCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-15-9-7-13(8-10-15)14-18(16,17)11-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3
InChIKeyRQLJZZRSUKVHBL-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide (CID 56790967) is 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide is CN1CCC(NS(=O)(=O)CC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The InChIKey is RQLJZZRSUKVHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-15-9-7-13(8-10-15)14-18(16,17)11-12-5-3-2-4-6-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide?
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 56790967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).