N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide

C13H23N3O2S — CID 61122100

IUPACN-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H23N3O2S/c1-2-12-5-7-13(11-14,8-6-12)15-19(17,18)16-9-3-4-10-16/h12,15H,2-10H2,1H3
InChIKeyUAUMHVRWWCOUPC-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.78
Rot. Bonds4

About N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide

N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide (PubChem CID 61122100) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide
PubChem CID61122100
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H23N3O2S/c1-2-12-5-7-13(11-14,8-6-12)15-19(17,18)16-9-3-4-10-16/h12,15H,2-10H2,1H3
InChIKeyUAUMHVRWWCOUPC-UHFFFAOYSA-N
XLogP1.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696
N-[1-(aminomethyl)-4-ethylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940736
1-Cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947883
N-(1-cyanocyclohexyl)pyrrolidine-1-sulfonamide
CID 60723802
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 61121904
1-Cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 61122288
N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide
CID 61122297
N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide
CID 61122692
N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide
CID 61123502
N-(1-cyano-4-methylcyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 61124087
1-Cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
N-(1-cyano-4-ethylcyclohexyl)piperidine-1-sulfonamide
CID 61124093

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide (CID 61122100) is N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide is CCC1CCC(C#N)(NS(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide?
The InChIKey is UAUMHVRWWCOUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-2-12-5-7-13(11-14,8-6-12)15-19(17,18)16-9-3-4-10-16/h12,15H,2-10H2,1H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide?
N-(1-cyano-4-ethylcyclohexyl)pyrrolidine-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.78, 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)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 61122100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).