(2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide

C9H11N3OS — CID 46883395

IUPAC(2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide
SMILESN#CCNC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C9H11N3OS/c10-3-4-12-9(13)8(11)6-7-2-1-5-14-7/h1-2,5,8H,4,6,11H2,(H,12,13)/t8-/m0/s1
InChIKeyGAMDWPRVRQGRBM-QMMMGPOBSA-N
MW209.27 g/mol
LogP0.26
Rot. Bonds4

About (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide

(2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide (PubChem CID 46883395) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide
PubChem CID46883395
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide
SMILESN#CCNC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C9H11N3OS/c10-3-4-12-9(13)8(11)6-7-2-1-5-14-7/h1-2,5,8H,4,6,11H2,(H,12,13)/t8-/m0/s1
InChIKeyGAMDWPRVRQGRBM-QMMMGPOBSA-N
XLogP0.26
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide (CID 46883395) is (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide is N#CCNC(=O)[C@@H](N)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is GAMDWPRVRQGRBM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11N3OS/c10-3-4-12-9(13)8(11)6-7-2-1-5-14-7/h1-2,5,8H,4,6,11H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-(cyanomethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 209.27 g/mol, XLogP of 0.26, 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-(cyanomethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).