2-(1-methylsulfanylcyclopentyl)acetonitrile

C8H13NS — CID 146581107

IUPAC2-(1-methylsulfanylcyclopentyl)acetonitrile
SMILESCSC1(CC#N)CCCC1
InChIInChI=1S/C8H13NS/c1-10-8(6-7-9)4-2-3-5-8/h2-6H2,1H3
InChIKeyAFDMGRNLTVUQCP-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.58
Rot. Bonds2

About 2-(1-methylsulfanylcyclopentyl)acetonitrile

2-(1-methylsulfanylcyclopentyl)acetonitrile (PubChem CID 146581107) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-(1-methylsulfanylcyclopentyl)acetonitrile.

Molecular Properties

Compound Name2-(1-methylsulfanylcyclopentyl)acetonitrile
PubChem CID146581107
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-(1-methylsulfanylcyclopentyl)acetonitrile
SMILESCSC1(CC#N)CCCC1
InChIInChI=1S/C8H13NS/c1-10-8(6-7-9)4-2-3-5-8/h2-6H2,1H3
InChIKeyAFDMGRNLTVUQCP-UHFFFAOYSA-N
XLogP2.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylcyclopentyl)acetonitrile?
The IUPAC name of 2-(1-methylsulfanylcyclopentyl)acetonitrile (CID 146581107) is 2-(1-methylsulfanylcyclopentyl)acetonitrile.
What is the SMILES notation for 2-(1-methylsulfanylcyclopentyl)acetonitrile?
The canonical SMILES for 2-(1-methylsulfanylcyclopentyl)acetonitrile is CSC1(CC#N)CCCC1.
What is the InChIKey of 2-(1-methylsulfanylcyclopentyl)acetonitrile?
The InChIKey is AFDMGRNLTVUQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-10-8(6-7-9)4-2-3-5-8/h2-6H2,1H3.
What are the key properties of 2-(1-methylsulfanylcyclopentyl)acetonitrile?
2-(1-methylsulfanylcyclopentyl)acetonitrile has a molecular weight of 155.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylcyclopentyl)acetonitrile is sourced from PubChem (CID 146581107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).