5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C11H15NO4S2 — CID 60950394

IUPAC5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(C)CC2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO4S2/c1-7-5-9(17-10(7)11(13)14)18(15,16)12(2)6-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyVQYSNFIRRIRBKF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.79
Rot. Bonds5

About 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 60950394) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID60950394
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(C)CC2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO4S2/c1-7-5-9(17-10(7)11(13)14)18(15,16)12(2)6-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyVQYSNFIRRIRBKF-UHFFFAOYSA-N
XLogP1.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275730
5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 127020813
4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43578743
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60952426
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 60951459
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437
5-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60948492
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329128
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43526876

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 60950394) is 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N(C)CC2CC2)sc1C(=O)O.
What is the InChIKey of 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is VQYSNFIRRIRBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-7-5-9(17-10(7)11(13)14)18(15,16)12(2)6-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 60950394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).