2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide

C12H20N2OS — CID 62900414

IUPAC2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
SMILESCCC(NC(c1cccs1)C(C)C)C(N)=O
InChIInChI=1S/C12H20N2OS/c1-4-9(12(13)15)14-11(8(2)3)10-6-5-7-16-10/h5-9,11,14H,4H2,1-3H3,(H2,13,15)
InChIKeySYYPMPSCLWAJCC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.30
Rot. Bonds6

About 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide

2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide (PubChem CID 62900414) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide.

Molecular Properties

Compound Name2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
PubChem CID62900414
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide
SMILESCCC(NC(c1cccs1)C(C)C)C(N)=O
InChIInChI=1S/C12H20N2OS/c1-4-9(12(13)15)14-11(8(2)3)10-6-5-7-16-10/h5-9,11,14H,4H2,1-3H3,(H2,13,15)
InChIKeySYYPMPSCLWAJCC-UHFFFAOYSA-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-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide 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-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-amino-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 103244688
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentan-1-ol
CID 115888558
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
CID 43722998
1-amino-3-methyl-1-thiophen-2-ylpentan-2-one
CID 116601464
2-(1-phenylethylamino)butanamide
CID 62899453
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide?
The IUPAC name of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide (CID 62900414) is 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide.
What is the SMILES notation for 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide?
The canonical SMILES for 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide is CCC(NC(c1cccs1)C(C)C)C(N)=O.
What is the InChIKey of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide?
The InChIKey is SYYPMPSCLWAJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-9(12(13)15)14-11(8(2)3)10-6-5-7-16-10/h5-9,11,14H,4H2,1-3H3,(H2,13,15).
What are the key properties of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide?
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide 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-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanamide is sourced from PubChem (CID 62900414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).