3-amino-N-(dithiophen-2-ylmethyl)propanamide

C12H14N2OS2 — CID 119331298

IUPAC3-amino-N-(dithiophen-2-ylmethyl)propanamide
SMILESNCCC(=O)NC(c1cccs1)c1cccs1
InChIInChI=1S/C12H14N2OS2/c13-6-5-11(15)14-12(9-3-1-7-16-9)10-4-2-8-17-10/h1-4,7-8,12H,5-6,13H2,(H,14,15)
InChIKeyFXQZWEFKQYOZEW-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.36
Rot. Bonds5

About 3-amino-N-(dithiophen-2-ylmethyl)propanamide

3-amino-N-(dithiophen-2-ylmethyl)propanamide (PubChem CID 119331298) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-amino-N-(dithiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(dithiophen-2-ylmethyl)propanamide
PubChem CID119331298
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name3-amino-N-(dithiophen-2-ylmethyl)propanamide
SMILESNCCC(=O)NC(c1cccs1)c1cccs1
InChIInChI=1S/C12H14N2OS2/c13-6-5-11(15)14-12(9-3-1-7-16-9)10-4-2-8-17-10/h1-4,7-8,12H,5-6,13H2,(H,14,15)
InChIKeyFXQZWEFKQYOZEW-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(dithiophen-2-ylmethyl)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

3-amino-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]propanamide
CID 119273511
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
6-amino-N-(1-thiophen-2-ylpropyl)hexanamide
CID 54964033
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
4-phenylsulfanyl-N-[phenyl(thiophen-2-yl)methyl]butanamide
CID 24683529
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
N-(dithiophen-2-ylmethyl)-2-(oxolan-2-yl)acetamide
CID 56793867
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866542
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55750496

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(dithiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-(dithiophen-2-ylmethyl)propanamide (CID 119331298) is 3-amino-N-(dithiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-(dithiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-(dithiophen-2-ylmethyl)propanamide is NCCC(=O)NC(c1cccs1)c1cccs1.
What is the InChIKey of 3-amino-N-(dithiophen-2-ylmethyl)propanamide?
The InChIKey is FXQZWEFKQYOZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c13-6-5-11(15)14-12(9-3-1-7-16-9)10-4-2-8-17-10/h1-4,7-8,12H,5-6,13H2,(H,14,15).
What are the key properties of 3-amino-N-(dithiophen-2-ylmethyl)propanamide?
3-amino-N-(dithiophen-2-ylmethyl)propanamide has a molecular weight of 266.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(dithiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 119331298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).