3-cyclohexylsulfanylpentanenitrile

C11H19NS — CID 60885758

IUPAC3-cyclohexylsulfanylpentanenitrile
SMILESCCC(CC#N)SC1CCCCC1
InChIInChI=1S/C11H19NS/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h10-11H,2-8H2,1H3
InChIKeyHBATVIZAZKDTLT-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.74
Rot. Bonds4

About 3-cyclohexylsulfanylpentanenitrile

3-cyclohexylsulfanylpentanenitrile (PubChem CID 60885758) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 3-cyclohexylsulfanylpentanenitrile.

Molecular Properties

Compound Name3-cyclohexylsulfanylpentanenitrile
PubChem CID60885758
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name3-cyclohexylsulfanylpentanenitrile
SMILESCCC(CC#N)SC1CCCCC1
InChIInChI=1S/C11H19NS/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h10-11H,2-8H2,1H3
InChIKeyHBATVIZAZKDTLT-UHFFFAOYSA-N
XLogP3.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanylpentanenitrile?
The IUPAC name of 3-cyclohexylsulfanylpentanenitrile (CID 60885758) is 3-cyclohexylsulfanylpentanenitrile.
What is the SMILES notation for 3-cyclohexylsulfanylpentanenitrile?
The canonical SMILES for 3-cyclohexylsulfanylpentanenitrile is CCC(CC#N)SC1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfanylpentanenitrile?
The InChIKey is HBATVIZAZKDTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-2-10(8-9-12)13-11-6-4-3-5-7-11/h10-11H,2-8H2,1H3.
What are the key properties of 3-cyclohexylsulfanylpentanenitrile?
3-cyclohexylsulfanylpentanenitrile has a molecular weight of 197.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanylpentanenitrile is sourced from PubChem (CID 60885758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).