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

C12H16N2O2S — CID 173053577

IUPACN-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
SMILESCCC(NC(=O)c1ccsc1)N1CCCC1=O
InChIInChI=1S/C12H16N2O2S/c1-2-10(14-6-3-4-11(14)15)13-12(16)9-5-7-17-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,16)
InChIKeyUNBASEPUQSGYID-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.84
Rot. Bonds4

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

N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide (PubChem CID 173053577) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
PubChem CID173053577
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
SMILESCCC(NC(=O)c1ccsc1)N1CCCC1=O
InChIInChI=1S/C12H16N2O2S/c1-2-10(14-6-3-4-11(14)15)13-12(16)9-5-7-17-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,16)
InChIKeyUNBASEPUQSGYID-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide (CID 173053577) is N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide is CCC(NC(=O)c1ccsc1)N1CCCC1=O.
What is the InChIKey of N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide?
The InChIKey is UNBASEPUQSGYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-10(14-6-3-4-11(14)15)13-12(16)9-5-7-17-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,13,16).
What are the key properties of N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide?
N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 173053577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).