(2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile

C10H17NOS — CID 100977712

IUPAC(2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile
SMILESN#C[C@@H](SCCO)C1CCCCC1
InChIInChI=1S/C10H17NOS/c11-8-10(13-7-6-12)9-4-2-1-3-5-9/h9-10,12H,1-7H2/t10-/m1/s1
InChIKeyBVXILRWOSJBYRG-SNVBAGLBSA-N
MW199.32 g/mol
LogP2.18
Rot. Bonds4

About (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile

(2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile (PubChem CID 100977712) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile
PubChem CID100977712
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile
SMILESN#C[C@@H](SCCO)C1CCCCC1
InChIInChI=1S/C10H17NOS/c11-8-10(13-7-6-12)9-4-2-1-3-5-9/h9-10,12H,1-7H2/t10-/m1/s1
InChIKeyBVXILRWOSJBYRG-SNVBAGLBSA-N
XLogP2.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile 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-butan-2-ylsulfanyl-2-cycloheptylacetonitrile
CID 82932232
(2R)-2-cyclohexyl-2-(oxan-4-ylsulfanyl)acetonitrile
CID 124573312
(2S)-2-cyclohexyl-2-fluoroacetonitrile
CID 11040792
2-cyclohexylpropanedinitrile
CID 11171058
2-(4-ethynyl-4-fluorocyclohexyl)-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
CID 59378302
2-cyclohexylpropanedinitrile;methane
CID 142914800
2-cyclobutyl-3-hydroxypropanenitrile
CID 130825649
2-(4-chlorophenyl)sulfanyl-2-cyclohexylacetonitrile
CID 78965843
(2S)-2-chloro-2-cyclohexylacetonitrile
CID 94056855
(2S)-2-cyclohexyl-2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylacetonitrile
CID 95628390
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
2-cyclohexylpentanenitrile
CID 20506214

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile?
The IUPAC name of (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile (CID 100977712) is (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile.
What is the SMILES notation for (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile?
The canonical SMILES for (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile is N#C[C@@H](SCCO)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile?
The InChIKey is BVXILRWOSJBYRG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NOS/c11-8-10(13-7-6-12)9-4-2-1-3-5-9/h9-10,12H,1-7H2/t10-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile?
(2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile has a molecular weight of 199.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile is sourced from PubChem (CID 100977712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).