N-(1-cyanocyclohexyl)methanesulfonamide

C8H14N2O2S — CID 60681350

IUPACN-(1-cyanocyclohexyl)methanesulfonamide
SMILESCS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C8H14N2O2S/c1-13(11,12)10-8(7-9)5-3-2-4-6-8/h10H,2-6H2,1H3
InChIKeyUNSWJKRJWQRNHG-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.76
Rot. Bonds2

About N-(1-cyanocyclohexyl)methanesulfonamide

N-(1-cyanocyclohexyl)methanesulfonamide (PubChem CID 60681350) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)methanesulfonamide
PubChem CID60681350
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(1-cyanocyclohexyl)methanesulfonamide
SMILESCS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C8H14N2O2S/c1-13(11,12)10-8(7-9)5-3-2-4-6-8/h10H,2-6H2,1H3
InChIKeyUNSWJKRJWQRNHG-UHFFFAOYSA-N
XLogP0.76
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)methanesulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)methanesulfonamide (CID 60681350) is N-(1-cyanocyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)methanesulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)methanesulfonamide is CS(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)methanesulfonamide?
The InChIKey is UNSWJKRJWQRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-13(11,12)10-8(7-9)5-3-2-4-6-8/h10H,2-6H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)methanesulfonamide?
N-(1-cyanocyclohexyl)methanesulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)methanesulfonamide is sourced from PubChem (CID 60681350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).