4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid

C12H16N2O4S2 — CID 63618836

IUPAC4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCN(C3CC3)C2)cs1
InChIInChI=1S/C12H16N2O4S2/c15-12(16)11-5-10(7-19-11)20(17,18)13-8-3-4-14(6-8)9-1-2-9/h5,7-9,13H,1-4,6H2,(H,15,16)
InChIKeyDGVDZYBKFHMERC-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.96
Rot. Bonds5

About 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid

4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63618836) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63618836
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCN(C3CC3)C2)cs1
InChIInChI=1S/C12H16N2O4S2/c15-12(16)11-5-10(7-19-11)20(17,18)13-8-3-4-14(6-8)9-1-2-9/h5,7-9,13H,1-4,6H2,(H,15,16)
InChIKeyDGVDZYBKFHMERC-UHFFFAOYSA-N
XLogP0.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 63618836) is 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CCN(C3CC3)C2)cs1.
What is the InChIKey of 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is DGVDZYBKFHMERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c15-12(16)11-5-10(7-19-11)20(17,18)13-8-3-4-14(6-8)9-1-2-9/h5,7-9,13H,1-4,6H2,(H,15,16).
What are the key properties of 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63618836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).