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

C13H20N2O4S2 — CID 60709073

IUPAC3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN1CCC(NS(=O)(=O)c2ccsc2C(=O)O)CC1
InChIInChI=1S/C13H20N2O4S2/c1-2-6-15-7-3-10(4-8-15)14-21(18,19)11-5-9-20-12(11)13(16)17/h5,9-10,14H,2-4,6-8H2,1H3,(H,16,17)
InChIKeyBXHILOZHOMJOFC-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.60
Rot. Bonds6

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

3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 60709073) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID60709073
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN1CCC(NS(=O)(=O)c2ccsc2C(=O)O)CC1
InChIInChI=1S/C13H20N2O4S2/c1-2-6-15-7-3-10(4-8-15)14-21(18,19)11-5-9-20-12(11)13(16)17/h5,9-10,14H,2-4,6-8H2,1H3,(H,16,17)
InChIKeyBXHILOZHOMJOFC-UHFFFAOYSA-N
XLogP1.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609997
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid
CID 112732174
methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 18148661
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
3-[(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 146093274
4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300
2-nitro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772629
N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22772640
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 134006741

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 60709073) is 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid is CCCN1CCC(NS(=O)(=O)c2ccsc2C(=O)O)CC1.
What is the InChIKey of 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is BXHILOZHOMJOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-2-6-15-7-3-10(4-8-15)14-21(18,19)11-5-9-20-12(11)13(16)17/h5,9-10,14H,2-4,6-8H2,1H3,(H,16,17).
What are the key properties of 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 332.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60709073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).