1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide

C14H22N2OS — CID 114121545

IUPAC1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
SMILESCSC1CCCC1NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-18-12-7-5-6-11(12)16-13(17)14(10-15)8-3-2-4-9-14/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyHVSGCGNLNIQOQY-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.86
Rot. Bonds3

About 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide

1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide (PubChem CID 114121545) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
PubChem CID114121545
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
SMILESCSC1CCCC1NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-18-12-7-5-6-11(12)16-13(17)14(10-15)8-3-2-4-9-14/h11-12H,2-9H2,1H3,(H,16,17)
InChIKeyHVSGCGNLNIQOQY-UHFFFAOYSA-N
XLogP2.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide (CID 114121545) is 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide is CSC1CCCC1NC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is HVSGCGNLNIQOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-18-12-7-5-6-11(12)16-13(17)14(10-15)8-3-2-4-9-14/h11-12H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide?
1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114121545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).