N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide

C15H27N3O2S — CID 61122297

IUPACN-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C15H27N3O2S/c1-3-14-6-8-15(12-16,9-7-14)17-21(19,20)18-10-4-5-13(2)11-18/h13-14,17H,3-11H2,1-2H3
InChIKeyQITWRSGNIUMOBA-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.42
Rot. Bonds4

About N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide

N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 61122297) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide
PubChem CID61122297
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C15H27N3O2S/c1-3-14-6-8-15(12-16,9-7-14)17-21(19,20)18-10-4-5-13(2)11-18/h13-14,17H,3-11H2,1-2H3
InChIKeyQITWRSGNIUMOBA-UHFFFAOYSA-N
XLogP2.42
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119830
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpiperidine-1-sulfonamide
CID 43119837
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 43119838
1-Cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947883
N-(1-cyanocyclohexyl)piperidine-1-sulfonamide
CID 60723801
N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 60728775
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 61121904
N-(1-cyano-4-methylcyclohexyl)-2-methylpiperidine-1-sulfonamide
CID 61122093

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide (CID 61122297) is N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide is CCC1CCC(C#N)(NS(=O)(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is QITWRSGNIUMOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-3-14-6-8-15(12-16,9-7-14)17-21(19,20)18-10-4-5-13(2)11-18/h13-14,17H,3-11H2,1-2H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide?
N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61122297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).