2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride

C11H19ClN2OS — CID 119288925

IUPAC2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCc1ccsc1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-8(2)10(12)11(14)13-5-3-9-4-6-15-7-9;/h4,6-8,10H,3,5,12H2,1-2H3,(H,13,14);1H
InChIKeyNMUKHDFUZKRCAC-UHFFFAOYSA-N
MW262.81 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride

2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride (PubChem CID 119288925) has the molecular formula C11H19ClN2OS and a molecular weight of 262.81 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
PubChem CID119288925
Molecular FormulaC11H19ClN2OS
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC Name2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCCc1ccsc1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-8(2)10(12)11(14)13-5-3-9-4-6-15-7-9;/h4,6-8,10H,3,5,12H2,1-2H3,(H,13,14);1H
InChIKeyNMUKHDFUZKRCAC-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;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-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 79013339
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
4-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 61160853
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride (CID 119288925) is 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride is CC(C)C(N)C(=O)NCCc1ccsc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride?
The InChIKey is NMUKHDFUZKRCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS.ClH/c1-8(2)10(12)11(14)13-5-3-9-4-6-15-7-9;/h4,6-8,10H,3,5,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride?
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride has a molecular weight of 262.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119288925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).