N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide

C13H17N3OS — CID 2816739

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESCc1sc(NC(=O)CN2CCCC2)c(C#N)c1C
InChIInChI=1S/C13H17N3OS/c1-9-10(2)18-13(11(9)7-14)15-12(17)8-16-5-3-4-6-16/h3-6,8H2,1-2H3,(H,15,17)
InChIKeyAQMMNIMKHJDYHF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.27
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 2816739) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID2816739
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide
SMILESCc1sc(NC(=O)CN2CCCC2)c(C#N)c1C
InChIInChI=1S/C13H17N3OS/c1-9-10(2)18-13(11(9)7-14)15-12(17)8-16-5-3-4-6-16/h3-6,8H2,1-2H3,(H,15,17)
InChIKeyAQMMNIMKHJDYHF-UHFFFAOYSA-N
XLogP2.27
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide (CID 2816739) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide is Cc1sc(NC(=O)CN2CCCC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is AQMMNIMKHJDYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-10(2)18-13(11(9)7-14)15-12(17)8-16-5-3-4-6-16/h3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 263.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2816739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).