(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide

C11H15N3OS — CID 46883467

IUPAC(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide
SMILESCC(C)(C#N)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C11H15N3OS/c1-11(2,7-12)14-10(15)9(13)6-8-4-3-5-16-8/h3-5,9H,6,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyJHYOWNGKJGOKAX-VIFPVBQESA-N
MW237.33 g/mol
LogP1.04
Rot. Bonds4

About (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide

(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 46883467) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID46883467
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide
SMILESCC(C)(C#N)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C11H15N3OS/c1-11(2,7-12)14-10(15)9(13)6-8-4-3-5-16-8/h3-5,9H,6,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyJHYOWNGKJGOKAX-VIFPVBQESA-N
XLogP1.04
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide 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

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(thiophen-2-yl)ethyl]carbamate
CID 11716536
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
(5Z,8Z,11Z,14Z)-N-(1-thiophen-2-ylpropan-2-yl)icosa-5,8,11,14-tetraenamide
CID 10928080
(S)-2-amino-N-(cyanomethyl)-3-(thiophen-2-yl)propanamide
CID 46883395
(S)-2-amino-N-((S)-1-cyano-2-methylpropyl)-3-(thiophen-2-yl)propanamide
CID 46883396
(S)-2-amino-N-((S)-1-cyano-2-cyclohexylethyl)-3-(thiophen-2-yl)propanamide
CID 46883426
(S)-2-amino-N-((S)-1-cyano-3-phenylpropyl)-3-(thiophen-2-yl)propanamide
CID 46883428
(S)-2-amino-N-(1-cyanocyclopropyl)-3-(thiophen-2-yl)propanamide
CID 46883466
(2S)-2-amino-N-(1-cyano-2,2-dimethylcyclopropyl)-3-(thiophen-2-yl)propanamide
CID 46883469
(2S,4S)-1-[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 76325643
(S)-2-amino-N-(1-cyanocyclobutyl)-3-(thiophen-2-yl)propanamide
CID 46883468
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 70685557

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide (CID 46883467) is (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide is CC(C)(C#N)NC(=O)[C@@H](N)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is JHYOWNGKJGOKAX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(2,7-12)14-10(15)9(13)6-8-4-3-5-16-8/h3-5,9H,6,13H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 237.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).