1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide

C12H16ClN3O2S — CID 56814357

IUPAC1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
SMILESCC(NC(=O)N1CCC(C(N)=O)C1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClN3O2S/c1-7(9-2-3-10(13)19-9)15-12(18)16-5-4-8(6-16)11(14)17/h2-3,7-8H,4-6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyGWKCMCKYJJMOME-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.98
Rot. Bonds3

About 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide

1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 56814357) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
PubChem CID56814357
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
SMILESCC(NC(=O)N1CCC(C(N)=O)C1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClN3O2S/c1-7(9-2-3-10(13)19-9)15-12(18)16-5-4-8(6-16)11(14)17/h2-3,7-8H,4-6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyGWKCMCKYJJMOME-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide (CID 56814357) is 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide is CC(NC(=O)N1CCC(C(N)=O)C1)c1ccc(Cl)s1.
What is the InChIKey of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is GWKCMCKYJJMOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c1-7(9-2-3-10(13)19-9)15-12(18)16-5-4-8(6-16)11(14)17/h2-3,7-8H,4-6H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide?
1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 301.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 56814357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).