2-methyl-3-(thiophen-2-ylmethylamino)propanamide

C9H14N2OS — CID 43312177

IUPAC2-methyl-3-(thiophen-2-ylmethylamino)propanamide
SMILESCC(CNCc1cccs1)C(N)=O
InChIInChI=1S/C9H14N2OS/c1-7(9(10)12)5-11-6-8-3-2-4-13-8/h2-4,7,11H,5-6H2,1H3,(H2,10,12)
InChIKeyRNFZTKXDNCMRGR-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.96
Rot. Bonds5

About 2-methyl-3-(thiophen-2-ylmethylamino)propanamide

2-methyl-3-(thiophen-2-ylmethylamino)propanamide (PubChem CID 43312177) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(thiophen-2-ylmethylamino)propanamide
PubChem CID43312177
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methyl-3-(thiophen-2-ylmethylamino)propanamide
SMILESCC(CNCc1cccs1)C(N)=O
InChIInChI=1S/C9H14N2OS/c1-7(9(10)12)5-11-6-8-3-2-4-13-8/h2-4,7,11H,5-6H2,1H3,(H2,10,12)
InChIKeyRNFZTKXDNCMRGR-UHFFFAOYSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(thiophen-2-ylmethylamino)propanamide 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

1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
(2S)-2-(thiophen-2-ylmethylamino)butanediamide
CID 151018990
methyl 3-hydroxy-4-(thiophen-2-ylmethylamino)butanoate
CID 115123322
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
2-(thiophen-2-ylmethylamino)ethyl carbamate
CID 83211121
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106512291
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599
(thiophen-2-ylmethylamino) 2-methylbutanoate
CID 23185815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-2-ylmethylamino)propanamide?
The IUPAC name of 2-methyl-3-(thiophen-2-ylmethylamino)propanamide (CID 43312177) is 2-methyl-3-(thiophen-2-ylmethylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(thiophen-2-ylmethylamino)propanamide?
The canonical SMILES for 2-methyl-3-(thiophen-2-ylmethylamino)propanamide is CC(CNCc1cccs1)C(N)=O.
What is the InChIKey of 2-methyl-3-(thiophen-2-ylmethylamino)propanamide?
The InChIKey is RNFZTKXDNCMRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(9(10)12)5-11-6-8-3-2-4-13-8/h2-4,7,11H,5-6H2,1H3,(H2,10,12).
What are the key properties of 2-methyl-3-(thiophen-2-ylmethylamino)propanamide?
2-methyl-3-(thiophen-2-ylmethylamino)propanamide has a molecular weight of 198.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-2-ylmethylamino)propanamide is sourced from PubChem (CID 43312177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).