4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C9H12N2O3S2 — CID 6486028

IUPAC4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C9H12N2O3S2/c10-9(12)8-5-7(6-15-8)16(13,14)11-3-1-2-4-11/h5-6H,1-4H2,(H2,10,12)
InChIKeyRPDPYBFIMRWGBQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.63
Rot. Bonds3

About 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6486028) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6486028
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Name4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C9H12N2O3S2/c10-9(12)8-5-7(6-15-8)16(13,14)11-3-1-2-4-11/h5-6H,1-4H2,(H2,10,12)
InChIKeyRPDPYBFIMRWGBQ-UHFFFAOYSA-N
XLogP0.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 6486028) is 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is RPDPYBFIMRWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c10-9(12)8-5-7(6-15-8)16(13,14)11-3-1-2-4-11/h5-6H,1-4H2,(H2,10,12).
What are the key properties of 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6486028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).