3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid

C14H21NO4S2 — CID 62406837

IUPAC3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCC(NS(=O)(=O)c1ccsc1C(=O)O)C1CCCCC1
InChIInChI=1S/C14H21NO4S2/c1-2-11(10-6-4-3-5-7-10)15-21(18,19)12-8-9-20-13(12)14(16)17/h8-11,15H,2-7H2,1H3,(H,16,17)
InChIKeyKTFPKVFFTQEIGK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.08
Rot. Bonds6

About 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid

3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 62406837) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID62406837
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCC(NS(=O)(=O)c1ccsc1C(=O)O)C1CCCCC1
InChIInChI=1S/C14H21NO4S2/c1-2-11(10-6-4-3-5-7-10)15-21(18,19)12-8-9-20-13(12)14(16)17/h8-11,15H,2-7H2,1H3,(H,16,17)
InChIKeyKTFPKVFFTQEIGK-UHFFFAOYSA-N
XLogP3.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid (CID 62406837) is 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid is CCC(NS(=O)(=O)c1ccsc1C(=O)O)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is KTFPKVFFTQEIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-2-11(10-6-4-3-5-7-10)15-21(18,19)12-8-9-20-13(12)14(16)17/h8-11,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid?
3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 62406837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).