1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide

C12H15FN2OS — CID 79653614

IUPAC1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(Sc2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2OS/c13-8-1-3-9(4-2-8)17-10-5-6-12(15,7-10)11(14)16/h1-4,10H,5-7,15H2,(H2,14,16)
InChIKeyRTOGWDVTBZXKNB-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.65
Rot. Bonds3

About 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide

1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide (PubChem CID 79653614) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide
PubChem CID79653614
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(Sc2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2OS/c13-8-1-3-9(4-2-8)17-10-5-6-12(15,7-10)11(14)16/h1-4,10H,5-7,15H2,(H2,14,16)
InChIKeyRTOGWDVTBZXKNB-UHFFFAOYSA-N
XLogP1.65
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide 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 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide (CID 79653614) is 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide is NC(=O)C1(N)CCC(Sc2ccc(F)cc2)C1.
What is the InChIKey of 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide?
The InChIKey is RTOGWDVTBZXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-8-1-3-9(4-2-8)17-10-5-6-12(15,7-10)11(14)16/h1-4,10H,5-7,15H2,(H2,14,16).
What are the key properties of 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide?
1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluorophenyl)sulfanylcyclopentane-1-carboxamide is sourced from PubChem (CID 79653614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).