3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C11H17NO4S2 — CID 54950851

IUPAC3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCC(C)C(C)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-4-7(2)8(3)12-18(15,16)9-5-6-17-10(9)11(13)14/h5-8,12H,4H2,1-3H3,(H,13,14)
InChIKeyKDPCNJVOBZTJSE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.16
Rot. Bonds6

About 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid

3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 54950851) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID54950851
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCC(C)C(C)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-4-7(2)8(3)12-18(15,16)9-5-6-17-10(9)11(13)14/h5-8,12H,4H2,1-3H3,(H,13,14)
InChIKeyKDPCNJVOBZTJSE-UHFFFAOYSA-N
XLogP2.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62200209
3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 62406837
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81354448
3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51681297
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
CID 82720672
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 54950851) is 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid is CCC(C)C(C)NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is KDPCNJVOBZTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-4-7(2)8(3)12-18(15,16)9-5-6-17-10(9)11(13)14/h5-8,12H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 54950851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).