N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide

C10H18N2O2S — CID 61122295

IUPACN-(1-cyano-4-ethylcyclohexyl)methanesulfonamide
SMILESCCC1CCC(C#N)(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H18N2O2S/c1-3-9-4-6-10(8-11,7-5-9)12-15(2,13)14/h9,12H,3-7H2,1-2H3
InChIKeyGEWFCVITRNHTTA-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.40
Rot. Bonds3

About N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide

N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide (PubChem CID 61122295) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)methanesulfonamide
PubChem CID61122295
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)methanesulfonamide
SMILESCCC1CCC(C#N)(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H18N2O2S/c1-3-9-4-6-10(8-11,7-5-9)12-15(2,13)14/h9,12H,3-7H2,1-2H3
InChIKeyGEWFCVITRNHTTA-UHFFFAOYSA-N
XLogP1.40
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
N-(1-cyanocyclohexyl)methanesulfonamide
CID 60681350
N-(1-cyano-4-ethylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61123890
N-(1-cyano-4-methylcyclohexyl)-1,1-difluoromethanesulfonamide
CID 61124877
N-(1-cyano-4-ethylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83048028
(S)-N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfinamide;sulfur dioxide
CID 158218703
N-(1,4-dimethylcyclohexyl)methanesulfonamide
CID 12384634
N-[1-(aminomethyl)-4-ethylcyclohexyl]methanesulfonamide
CID 28940774
N-(1-cyano-4-ethylcyclohexyl)-2-methoxyethanesulfonamide
CID 55014581
N-(1-cyano-4-methylcyclohexyl)ethanesulfonamide
CID 55138338
N-(1-cyano-4-ethylcyclohexyl)ethanesulfonamide
CID 55138339
N-(1-cyano-4-methylcyclohexyl)-2-methylpropane-2-sulfonamide
CID 55233411

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide (CID 61122295) is N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide is CCC1CCC(C#N)(NS(C)(=O)=O)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide?
The InChIKey is GEWFCVITRNHTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-9-4-6-10(8-11,7-5-9)12-15(2,13)14/h9,12H,3-7H2,1-2H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide?
N-(1-cyano-4-ethylcyclohexyl)methanesulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.40, 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-ethylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 61122295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).