(2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide

C17H17N3OS — CID 46883366

IUPAC(2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide
SMILESN#CC1(NC(=O)[C@@H](N)Cc2cccs2)CC1c1ccccc1
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?/m0/s1
InChIKeyFUYOZZGSCQXNCB-CKDBGZEDSA-N
MW311.41 g/mol
LogP2.18
Rot. Bonds5

About (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide

(2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide (PubChem CID 46883366) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide
PubChem CID46883366
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide
SMILESN#CC1(NC(=O)[C@@H](N)Cc2cccs2)CC1c1ccccc1
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?/m0/s1
InChIKeyFUYOZZGSCQXNCB-CKDBGZEDSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide (CID 46883366) is (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide is N#CC1(NC(=O)[C@@H](N)Cc2cccs2)CC1c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide?
The InChIKey is FUYOZZGSCQXNCB-CKDBGZEDSA-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?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-(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-(1-cyano-2-phenylcyclopropyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).