2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile

C12H13FN2S — CID 63908450

IUPAC2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile
SMILESN#CC(N)(CSc1ccccc1F)C1CC1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-2-4-11(10)16-8-12(15,7-14)9-5-6-9/h1-4,9H,5-6,8,15H2
InChIKeyDGZXISFAXPNVAR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.55
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile

2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile (PubChem CID 63908450) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile
PubChem CID63908450
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile
SMILESN#CC(N)(CSc1ccccc1F)C1CC1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-2-4-11(10)16-8-12(15,7-14)9-5-6-9/h1-4,9H,5-6,8,15H2
InChIKeyDGZXISFAXPNVAR-UHFFFAOYSA-N
XLogP2.55
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile 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 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile (CID 63908450) is 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile is N#CC(N)(CSc1ccccc1F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile?
The InChIKey is DGZXISFAXPNVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-10-3-1-2-4-11(10)16-8-12(15,7-14)9-5-6-9/h1-4,9H,5-6,8,15H2.
What are the key properties of 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile?
2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile has a molecular weight of 236.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanenitrile is sourced from PubChem (CID 63908450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).