(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride

C14H21ClN2OS — CID 119293414

IUPAC(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10(15)14(17)16-11-6-8-13(9-7-11)18-12-4-2-3-5-12;/h6-10,12H,2-5,15H2,1H3,(H,16,17);1H/t10-;/m1./s1
InChIKeyKSEZEISUEQLILW-HNCPQSOCSA-N
MW300.86 g/mol
LogP3.43
Rot. Bonds4

About (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride

(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride (PubChem CID 119293414) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
PubChem CID119293414
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-10(15)14(17)16-11-6-8-13(9-7-11)18-12-4-2-3-5-12;/h6-10,12H,2-5,15H2,1H3,(H,16,17);1H/t10-;/m1./s1
InChIKeyKSEZEISUEQLILW-HNCPQSOCSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride 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-amino-N-(4-cyclopentylsulfanylphenyl)pentanamide;hydrochloride
CID 119293416
N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
CID 55965539
(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride
CID 119309258
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273773
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 37400587

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride (CID 119293414) is (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride is C[C@@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride?
The InChIKey is KSEZEISUEQLILW-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-10(15)14(17)16-11-6-8-13(9-7-11)18-12-4-2-3-5-12;/h6-10,12H,2-5,15H2,1H3,(H,16,17);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride?
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119293414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).