N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide

C13H15N3O2S — CID 70685557

IUPACN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C13H15N3O2S/c14-8-10-3-1-5-16(10)13(18)9-15-12(17)7-11-4-2-6-19-11/h2,4,6,10H,1,3,5,7,9H2,(H,15,17)/t10-/m0/s1
InChIKeyBNNRSCBPHPLKSC-JTQLQIEISA-N
MW277.35 g/mol
LogP0.92
Rot. Bonds4

About N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 70685557) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide
PubChem CID70685557
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C13H15N3O2S/c14-8-10-3-1-5-16(10)13(18)9-15-12(17)7-11-4-2-6-19-11/h2,4,6,10H,1,3,5,7,9H2,(H,15,17)/t10-/m0/s1
InChIKeyBNNRSCBPHPLKSC-JTQLQIEISA-N
XLogP0.92
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 70685557) is N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide is N#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BNNRSCBPHPLKSC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-8-10-3-1-5-16(10)13(18)9-15-12(17)7-11-4-2-6-19-11/h2,4,6,10H,1,3,5,7,9H2,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide?
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 277.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 70685557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).