(2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide

C12H15N3OS — CID 46883468

IUPAC(2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide
SMILESN#CC1(NC(=O)[C@@H](N)Cc2cccs2)CCC1
InChIInChI=1S/C12H15N3OS/c13-8-12(4-2-5-12)15-11(16)10(14)7-9-3-1-6-17-9/h1,3,6,10H,2,4-5,7,14H2,(H,15,16)/t10-/m0/s1
InChIKeyFBEOUNUQLZYLAX-JTQLQIEISA-N
MW249.34 g/mol
LogP1.18
Rot. Bonds4

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

(2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide (PubChem CID 46883468) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide
PubChem CID46883468
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide
SMILESN#CC1(NC(=O)[C@@H](N)Cc2cccs2)CCC1
InChIInChI=1S/C12H15N3OS/c13-8-12(4-2-5-12)15-11(16)10(14)7-9-3-1-6-17-9/h1,3,6,10H,2,4-5,7,14H2,(H,15,16)/t10-/m0/s1
InChIKeyFBEOUNUQLZYLAX-JTQLQIEISA-N
XLogP1.18
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.18
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-cyanocyclobutyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide (CID 46883468) is (2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide is N#CC1(NC(=O)[C@@H](N)Cc2cccs2)CCC1.
What is the InChIKey of (2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide?
The InChIKey is FBEOUNUQLZYLAX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3OS/c13-8-12(4-2-5-12)15-11(16)10(14)7-9-3-1-6-17-9/h1,3,6,10H,2,4-5,7,14H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide has a molecular weight of 249.34 g/mol, XLogP of 1.18, 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-(1-cyanocyclobutyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).