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

C13H18N2O4S2 — CID 63617321

IUPAC4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCN(C3CC3)C2)cs1
InChIInChI=1S/C13H18N2O4S2/c16-13(17)12-5-11(8-20-12)21(18,19)14-6-9-3-4-15(7-9)10-1-2-10/h5,8-10,14H,1-4,6-7H2,(H,16,17)
InChIKeyARXDPOMBUSTNPW-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.21
Rot. Bonds6

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

4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63617321) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID63617321
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCN(C3CC3)C2)cs1
InChIInChI=1S/C13H18N2O4S2/c16-13(17)12-5-11(8-20-12)21(18,19)14-6-9-3-4-15(7-9)10-1-2-10/h5,8-10,14H,1-4,6-7H2,(H,16,17)
InChIKeyARXDPOMBUSTNPW-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618836
4-[(1-cyclopentylazetidin-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 154780635
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide
CID 95781637
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid
CID 55151488
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617641
5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61110999
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 63617321) is 4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC2CCN(C3CC3)C2)cs1.
What is the InChIKey of 4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ARXDPOMBUSTNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c16-13(17)12-5-11(8-20-12)21(18,19)14-6-9-3-4-15(7-9)10-1-2-10/h5,8-10,14H,1-4,6-7H2,(H,16,17).
What are the key properties of 4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(1-cyclopropylpyrrolidin-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 1.21, 6 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)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63617321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).