N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide

C14H25N3O2S — CID 61124087

IUPACN-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2(C#N)CCC(C)CC2)CC1
InChIInChI=1S/C14H25N3O2S/c1-12-3-7-14(11-15,8-4-12)16-20(18,19)17-9-5-13(2)6-10-17/h12-13,16H,3-10H2,1-2H3
InChIKeyRSUOTAXNUNLPMD-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.03
Rot. Bonds3

About N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide

N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 61124087) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide
PubChem CID61124087
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2(C#N)CCC(C)CC2)CC1
InChIInChI=1S/C14H25N3O2S/c1-12-3-7-14(11-15,8-4-12)16-20(18,19)17-9-5-13(2)6-10-17/h12-13,16H,3-10H2,1-2H3
InChIKeyRSUOTAXNUNLPMD-UHFFFAOYSA-N
XLogP2.03
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.03
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
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940700
N-[1-(aminomethyl)-4-methylcyclohexyl]piperidine-1-sulfonamide
CID 28940702
N-[1-(aminomethyl)-4-ethylcyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940740
N-[1-(aminomethyl)-4-ethylcyclohexyl]piperidine-1-sulfonamide
CID 28940742
(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]-3-methylpiperidine-1-sulfonamide
CID 43119801
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylpiperidine-1-sulfonamide
CID 43119829
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119830
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119838

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide (CID 61124087) is N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC2(C#N)CCC(C)CC2)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is RSUOTAXNUNLPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-12-3-7-14(11-15,8-4-12)16-20(18,19)17-9-5-13(2)6-10-17/h12-13,16H,3-10H2,1-2H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide?
N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61124087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).