N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide

C13H23N3O2S — CID 60728775

IUPACN-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C13H23N3O2S/c1-12-5-9-16(10-6-12)19(17,18)15-13(11-14)7-3-2-4-8-13/h12,15H,2-10H2,1H3
InChIKeyURUKONRORXKDFF-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.78
Rot. Bonds3

About N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide

N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 60728775) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide
PubChem CID60728775
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2(C#N)CCCCC2)CC1
InChIInChI=1S/C13H23N3O2S/c1-12-5-9-16(10-6-12)19(17,18)15-13(11-14)7-3-2-4-8-13/h12,15H,2-10H2,1H3
InChIKeyURUKONRORXKDFF-UHFFFAOYSA-N
XLogP1.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide (CID 60728775) is N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC2(C#N)CCCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is URUKONRORXKDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12-5-9-16(10-6-12)19(17,18)15-13(11-14)7-3-2-4-8-13/h12,15H,2-10H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide?
N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 60728775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).