2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide

C12H20N2OS — CID 81407804

IUPAC2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-3-5-10(8-13)12(15)14-9(2)11-6-4-7-16-11/h4,6-7,9-10H,3,5,8,13H2,1-2H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyMJLZYTYAESCBGG-RGURZIINSA-N
MW240.37 g/mol
LogP2.30
Rot. Bonds6

About 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide

2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide (PubChem CID 81407804) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
PubChem CID81407804
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C12H20N2OS/c1-3-5-10(8-13)12(15)14-9(2)11-6-4-7-16-11/h4,6-7,9-10H,3,5,8,13H2,1-2H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyMJLZYTYAESCBGG-RGURZIINSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]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

2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
5-amino-2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 104685412
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
CID 81399560
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide
CID 65227703
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
CID 81387473
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pentanamide
CID 107471377
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 81317529
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide (CID 81407804) is 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide is CCCC(CN)C(=O)N[C@@H](C)c1cccs1.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide?
The InChIKey is MJLZYTYAESCBGG-RGURZIINSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-5-10(8-13)12(15)14-9(2)11-6-4-7-16-11/h4,6-7,9-10H,3,5,8,13H2,1-2H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide?
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide has a molecular weight of 240.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide is sourced from PubChem (CID 81407804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).