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

C9H16N2O2S — CID 61123090

IUPACN-(1-cyano-4-methylcyclohexyl)methanesulfonamide
SMILESCC1CCC(C#N)(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H16N2O2S/c1-8-3-5-9(7-10,6-4-8)11-14(2,12)13/h8,11H,3-6H2,1-2H3
InChIKeyDBTFQUYDYWOCRB-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.01
Rot. Bonds2

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

N-(1-cyano-4-methylcyclohexyl)methanesulfonamide (PubChem CID 61123090) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)methanesulfonamide
PubChem CID61123090
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(1-cyano-4-methylcyclohexyl)methanesulfonamide
SMILESCC1CCC(C#N)(NS(C)(=O)=O)CC1
InChIInChI=1S/C9H16N2O2S/c1-8-3-5-9(7-10,6-4-8)11-14(2,12)13/h8,11H,3-6H2,1-2H3
InChIKeyDBTFQUYDYWOCRB-UHFFFAOYSA-N
XLogP1.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)methanesulfonamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)methanesulfonamide (CID 61123090) is N-(1-cyano-4-methylcyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)methanesulfonamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)methanesulfonamide is CC1CCC(C#N)(NS(C)(=O)=O)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)methanesulfonamide?
The InChIKey is DBTFQUYDYWOCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-8-3-5-9(7-10,6-4-8)11-14(2,12)13/h8,11H,3-6H2,1-2H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)methanesulfonamide?
N-(1-cyano-4-methylcyclohexyl)methanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of 1.01, 2 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)methanesulfonamide is sourced from PubChem (CID 61123090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).