(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide

C11H15N3OS — CID 46883467

IUPAC(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide
SMILESCC(C)(C#N)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C11H15N3OS/c1-11(2,7-12)14-10(15)9(13)6-8-4-3-5-16-8/h3-5,9H,6,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyJHYOWNGKJGOKAX-VIFPVBQESA-N
MW237.33 g/mol
LogP1.04
Rot. Bonds4

About (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide

(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 46883467) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID46883467
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide
SMILESCC(C)(C#N)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C11H15N3OS/c1-11(2,7-12)14-10(15)9(13)6-8-4-3-5-16-8/h3-5,9H,6,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyJHYOWNGKJGOKAX-VIFPVBQESA-N
XLogP1.04
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.04
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-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide (CID 46883467) is (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide is CC(C)(C#N)NC(=O)[C@@H](N)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is JHYOWNGKJGOKAX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(2,7-12)14-10(15)9(13)6-8-4-3-5-16-8/h3-5,9H,6,13H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 237.33 g/mol, XLogP of 1.04, 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-(2-cyanopropan-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).