N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide

C13H23N3O2S — CID 61123478

IUPACN-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C13H23N3O2S/c1-12-7-3-6-10-16(12)19(17,18)15-13(11-14)8-4-2-5-9-13/h12,15H,2-10H2,1H3
InChIKeyHZEOLBYIOAFTPS-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.92
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide

N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 61123478) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide
PubChem CID61123478
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C13H23N3O2S/c1-12-7-3-6-10-16(12)19(17,18)15-13(11-14)8-4-2-5-9-13/h12,15H,2-10H2,1H3
InChIKeyHZEOLBYIOAFTPS-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 42894521
N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
(2S)-2-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 35299373
(2R)-2-methyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 35299376
N-[1-(aminomethyl)cyclohexyl]-2-methylpiperidine-1-sulfonamide
CID 43119800
N-[1-(aminomethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119801
4-(Dimethylsulfamoylamino)-1-azaspiro[5.5]undecane
CID 43598113
4-(Diethylsulfamoylamino)-1-azaspiro[5.5]undecane
CID 43598114
4-[[Butyl(methyl)sulfamoyl]amino]-1-azaspiro[5.5]undecane
CID 43598116
N-[(1-aminocyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43598181
N-[(1-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 43598183
N-[(1-aminocyclohexyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 43598187

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide (CID 61123478) is N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is HZEOLBYIOAFTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12-7-3-6-10-16(12)19(17,18)15-13(11-14)8-4-2-5-9-13/h12,15H,2-10H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide?
N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61123478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).