N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide

C10H18N2O2S — CID 86799164

IUPACN-(1-cyano-3-methylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C#N)CCCC(C)C1
InChIInChI=1S/C10H18N2O2S/c1-3-15(13,14)12-10(8-11)6-4-5-9(2)7-10/h9,12H,3-7H2,1-2H3
InChIKeyICFCZNLJNQCWKC-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.40
Rot. Bonds3

About N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide

N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide (PubChem CID 86799164) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-3-methylcyclohexyl)ethanesulfonamide
PubChem CID86799164
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1-cyano-3-methylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C#N)CCCC(C)C1
InChIInChI=1S/C10H18N2O2S/c1-3-15(13,14)12-10(8-11)6-4-5-9(2)7-10/h9,12H,3-7H2,1-2H3
InChIKeyICFCZNLJNQCWKC-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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide?
The IUPAC name of N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide (CID 86799164) is N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide.
What is the SMILES notation for N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide?
The canonical SMILES for N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide is CCS(=O)(=O)NC1(C#N)CCCC(C)C1.
What is the InChIKey of N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide?
The InChIKey is ICFCZNLJNQCWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-15(13,14)12-10(8-11)6-4-5-9(2)7-10/h9,12H,3-7H2,1-2H3.
What are the key properties of N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide?
N-(1-cyano-3-methylcyclohexyl)ethanesulfonamide 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-3-methylcyclohexyl)ethanesulfonamide is sourced from PubChem (CID 86799164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).