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

C17H17N3OS — CID 24822701

IUPAC(2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide
SMILESN#C[C@@]1(NC(=O)[C@@H](N)Cc2cccs2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/t14-,15+,17+/m1/s1
InChIKeyFUYOZZGSCQXNCB-VYDXJSESSA-N
MW311.41 g/mol
LogP2.18
Rot. Bonds5

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

(2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide (PubChem CID 24822701) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide
PubChem CID24822701
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide
SMILESN#C[C@@]1(NC(=O)[C@@H](N)Cc2cccs2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/t14-,15+,17+/m1/s1
InChIKeyFUYOZZGSCQXNCB-VYDXJSESSA-N
XLogP2.18
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
(S)-2-amino-N-((S)-1-cyano-2-(naphthalen-2-yl)ethyl)-3-(thiophen-2-yl)propanamide
CID 46883429
(S)-2-amino-N-((S)-1-cyano-2-(5-phenylthiophen-2-yl)ethyl)-3-(thiophen-2-yl)propanamide
CID 46883464
(2S,4S)-1-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 10269517
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404
(S)-2-amino-N-((S)-1-amino-1-oxo-3-(thiophen-2-yl)propan-2-yl)-3-phenylpropanamide
CID 45379601
(S)-2-amino-N-((S)-1-cyano-2-methylpropyl)-3-(thiophen-2-yl)propanamide
CID 46883396
(S)-2-amino-N-((S)-1-cyano-2,2-diphenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883425
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide (CID 24822701) is (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide is N#C[C@@]1(NC(=O)[C@@H](N)Cc2cccs2)C[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide?
The InChIKey is FUYOZZGSCQXNCB-VYDXJSESSA-N. The full InChI is InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/t14-,15+,17+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 24822701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).