2-ethyl-3-methylsulfanylpentanenitrile

C8H15NS — CID 89403364

IUPAC2-ethyl-3-methylsulfanylpentanenitrile
SMILESCCC(C#N)C(CC)SC
InChIInChI=1S/C8H15NS/c1-4-7(6-9)8(5-2)10-3/h7-8H,4-5H2,1-3H3
InChIKeyMPBYJUSGMFJJJI-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.68
Rot. Bonds4

About 2-ethyl-3-methylsulfanylpentanenitrile

2-ethyl-3-methylsulfanylpentanenitrile (PubChem CID 89403364) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-ethyl-3-methylsulfanylpentanenitrile.

Molecular Properties

Compound Name2-ethyl-3-methylsulfanylpentanenitrile
PubChem CID89403364
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-ethyl-3-methylsulfanylpentanenitrile
SMILESCCC(C#N)C(CC)SC
InChIInChI=1S/C8H15NS/c1-4-7(6-9)8(5-2)10-3/h7-8H,4-5H2,1-3H3
InChIKeyMPBYJUSGMFJJJI-UHFFFAOYSA-N
XLogP2.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-methylsulfanylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Methylsulfanyl)cyclopentane-1-carbonitrile
CID 12771999
2-Ethyl-4-[fluoro(dimethyl)-lambda4-sulfanyl]butanenitrile
CID 131971220
4-[Fluoro(dimethyl)-lambda4-sulfanyl]-2-methylpentanenitrile
CID 131971221
2-[1-[Difluoro(methyl)-lambda4-sulfanyl]propyl]butanedinitrile
CID 131971229
2-[[Fluoro(dimethyl)-lambda4-sulfanyl]methyl]pentanenitrile
CID 131971235
3-[[Fluoro(dimethyl)-lambda4-sulfanyl]methyl]-2-methylpentanedinitrile
CID 131971243
4-[Difluoro(methyl)-lambda4-sulfanyl]-2-methylhexanedinitrile
CID 131971245
4-[Fluoro(dimethyl)-lambda4-sulfanyl]-3-methylpentanenitrile
CID 131971299
2-[1-[Fluoro(dimethyl)-lambda4-sulfanyl]ethyl]pentanedinitrile
CID 131971307
2-[[Fluoro(dimethyl)-lambda4-sulfanyl]methyl]-4-methylpentanedinitrile
CID 131971309
2-[Fluoro(dimethyl)-lambda4-sulfanyl]-2-propylbutanedinitrile
CID 131971315
3-[[Fluoro(dimethyl)-lambda4-sulfanyl]methyl]pentanenitrile
CID 131971329

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylsulfanylpentanenitrile?
The IUPAC name of 2-ethyl-3-methylsulfanylpentanenitrile (CID 89403364) is 2-ethyl-3-methylsulfanylpentanenitrile.
What is the SMILES notation for 2-ethyl-3-methylsulfanylpentanenitrile?
The canonical SMILES for 2-ethyl-3-methylsulfanylpentanenitrile is CCC(C#N)C(CC)SC.
What is the InChIKey of 2-ethyl-3-methylsulfanylpentanenitrile?
The InChIKey is MPBYJUSGMFJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-7(6-9)8(5-2)10-3/h7-8H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-3-methylsulfanylpentanenitrile?
2-ethyl-3-methylsulfanylpentanenitrile has a molecular weight of 157.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylsulfanylpentanenitrile is sourced from PubChem (CID 89403364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).