(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide

C11H17ClN2OS — CID 93267274

IUPAC(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-3-4-8(13)11(15)14-7(2)9-5-6-10(12)16-9/h5-8H,3-4,13H2,1-2H3,(H,14,15)/t7-,8-/m0/s1
InChIKeyVXYGDOHMIGHOGC-YUMQZZPRSA-N
MW260.79 g/mol
LogP2.71
Rot. Bonds5

About (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide

(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide (PubChem CID 93267274) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
PubChem CID93267274
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-3-4-8(13)11(15)14-7(2)9-5-6-10(12)16-9/h5-8H,3-4,13H2,1-2H3,(H,14,15)/t7-,8-/m0/s1
InChIKeyVXYGDOHMIGHOGC-YUMQZZPRSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide 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

(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904813
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
2-[1-(5-chlorothiophen-2-yl)ethylcarbamoylamino]pentanoic acid
CID 61470647
(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76925998
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120989904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide (CID 93267274) is (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide is CCC[C@H](N)C(=O)N[C@@H](C)c1ccc(Cl)s1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide?
The InChIKey is VXYGDOHMIGHOGC-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-3-4-8(13)11(15)14-7(2)9-5-6-10(12)16-9/h5-8H,3-4,13H2,1-2H3,(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide?
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide has a molecular weight of 260.79 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide is sourced from PubChem (CID 93267274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).