(3R)-3-ethylsulfanyl-2-methylbutanenitrile

C7H13NS — CID 89363433

IUPAC(3R)-3-ethylsulfanyl-2-methylbutanenitrile
SMILESCCS[C@H](C)C(C)C#N
InChIInChI=1S/C7H13NS/c1-4-9-7(3)6(2)5-8/h6-7H,4H2,1-3H3/t6?,7-/m1/s1
InChIKeyMBMIACHFRZPQBN-COBSHVIPSA-N
MW143.25 g/mol
LogP2.29
Rot. Bonds3

About (3R)-3-ethylsulfanyl-2-methylbutanenitrile

(3R)-3-ethylsulfanyl-2-methylbutanenitrile (PubChem CID 89363433) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (3R)-3-ethylsulfanyl-2-methylbutanenitrile.

Molecular Properties

Compound Name(3R)-3-ethylsulfanyl-2-methylbutanenitrile
PubChem CID89363433
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(3R)-3-ethylsulfanyl-2-methylbutanenitrile
SMILESCCS[C@H](C)C(C)C#N
InChIInChI=1S/C7H13NS/c1-4-9-7(3)6(2)5-8/h6-7H,4H2,1-3H3/t6?,7-/m1/s1
InChIKeyMBMIACHFRZPQBN-COBSHVIPSA-N
XLogP2.29
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-3-ethylsulfanyl-2-methylbutanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethylsulfanyl-2-methylbutanenitrile?
The IUPAC name of (3R)-3-ethylsulfanyl-2-methylbutanenitrile (CID 89363433) is (3R)-3-ethylsulfanyl-2-methylbutanenitrile.
What is the SMILES notation for (3R)-3-ethylsulfanyl-2-methylbutanenitrile?
The canonical SMILES for (3R)-3-ethylsulfanyl-2-methylbutanenitrile is CCS[C@H](C)C(C)C#N.
What is the InChIKey of (3R)-3-ethylsulfanyl-2-methylbutanenitrile?
The InChIKey is MBMIACHFRZPQBN-COBSHVIPSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-9-7(3)6(2)5-8/h6-7H,4H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of (3R)-3-ethylsulfanyl-2-methylbutanenitrile?
(3R)-3-ethylsulfanyl-2-methylbutanenitrile has a molecular weight of 143.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethylsulfanyl-2-methylbutanenitrile is sourced from PubChem (CID 89363433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).