(3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile

C7H7NOS — CID 11367110

IUPAC(3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile
SMILESN#CC[C@@H](O)c1cccs1
InChIInChI=1S/C7H7NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3H2/t6-/m1/s1
InChIKeyQRYPRIQTWTYTGD-ZCFIWIBFSA-N
MW153.21 g/mol
LogP1.70
Rot. Bonds2

About (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile

(3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile (PubChem CID 11367110) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile
PubChem CID11367110
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name(3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile
SMILESN#CC[C@@H](O)c1cccs1
InChIInChI=1S/C7H7NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3H2/t6-/m1/s1
InChIKeyQRYPRIQTWTYTGD-ZCFIWIBFSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile 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-Thiophenemethanol
CID 69467
alpha-Methyl-2-thiophenemethanol
CID 102782
(1S)-1-(thiophen-2-yl)ethan-1-ol
CID 10887923
2,2,2-Trifluoro-1-(thiophen-2-yl)ethan-1-ol
CID 10954147
1-(Thiophen-2-yl)propan-1-ol
CID 13566813
(1R)-1-(2-Thienyl)ethanol
CID 11062410
(2R)-2-hydroxy-2-(thiophen-2-yl)acetonitrile
CID 11094701
2-Thiophenemethanol, alpha-ethenyl-
CID 11434996
2-(Hydroxymethyl)thiophene-3-carbonitrile
CID 19350977
5-(1-Hydroxyethyl)thiophene-2-carbonitrile
CID 45085953
(2S)-2-hydroxy-2-(thiophen-3-yl)acetonitrile
CID 11105436
alpha-Pentyl-2-thiophenemethanol
CID 17837564

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile?
The IUPAC name of (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile (CID 11367110) is (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile.
What is the SMILES notation for (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile?
The canonical SMILES for (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile is N#CC[C@@H](O)c1cccs1.
What is the InChIKey of (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile?
The InChIKey is QRYPRIQTWTYTGD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3H2/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile?
(3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile has a molecular weight of 153.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile is sourced from PubChem (CID 11367110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).