(2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide

C13H19N3OS — CID 46883465

IUPAC(2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide
SMILESCC(C)(C)[C@@H](C#N)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C13H19N3OS/c1-13(2,3)11(8-14)16-12(17)10(15)7-9-5-4-6-18-9/h4-6,10-11H,7,15H2,1-3H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyWLHICHWYBVIUAS-WDEREUQCSA-N
MW265.38 g/mol
LogP1.67
Rot. Bonds4

About (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide

(2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide (PubChem CID 46883465) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide
PubChem CID46883465
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide
SMILESCC(C)(C)[C@@H](C#N)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C13H19N3OS/c1-13(2,3)11(8-14)16-12(17)10(15)7-9-5-4-6-18-9/h4-6,10-11H,7,15H2,1-3H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyWLHICHWYBVIUAS-WDEREUQCSA-N
XLogP1.67
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-cyclopentyl-1-[(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3438532
(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
N-[(2S)-1-[[(3E,5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]decanamide
CID 122193069

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide (CID 46883465) is (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide is CC(C)(C)[C@@H](C#N)NC(=O)[C@@H](N)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide?
The InChIKey is WLHICHWYBVIUAS-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(2,3)11(8-14)16-12(17)10(15)7-9-5-4-6-18-9/h4-6,10-11H,7,15H2,1-3H3,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide has a molecular weight of 265.38 g/mol, XLogP of 1.67, 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-[(1S)-1-cyano-2,2-dimethylpropyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).