N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide

C12H16N2O2S — CID 2225184

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccs1
InChIInChI=1S/C12H16N2O2S/c15-11-5-1-7-14(11)8-3-6-13-12(16)10-4-2-9-17-10/h2,4,9H,1,3,5-8H2,(H,13,16)
InChIKeySVADYJBXEUMQJX-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.49
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide (PubChem CID 2225184) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
PubChem CID2225184
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccs1
InChIInChI=1S/C12H16N2O2S/c15-11-5-1-7-14(11)8-3-6-13-12(16)10-4-2-9-17-10/h2,4,9H,1,3,5-8H2,(H,13,16)
InChIKeySVADYJBXEUMQJX-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide (CID 2225184) is N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide is O=C(NCCCN1CCCC1=O)c1cccs1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide?
The InChIKey is SVADYJBXEUMQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-11-5-1-7-14(11)8-3-6-13-12(16)10-4-2-9-17-10/h2,4,9H,1,3,5-8H2,(H,13,16).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 2225184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).