5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

C12H17NO5S2 — CID 63329006

IUPAC5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C12H17NO5S2/c1-8-11(6-10(19-8)12(14)15)20(16,17)13(2)7-9-4-3-5-18-9/h6,9H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyHBRTYWAQAQSUOU-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.55
Rot. Bonds5

About 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63329006) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63329006
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C12H17NO5S2/c1-8-11(6-10(19-8)12(14)15)20(16,17)13(2)7-9-4-3-5-18-9/h6,9H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyHBRTYWAQAQSUOU-UHFFFAOYSA-N
XLogP1.55
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329128
4-amino-2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 102931122
4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
5-bromo-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80579987
2-iodo-5-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 103962419
5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112657989
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
2-[5-[methyl(oxan-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61221701
5-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 61060142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63329006) is 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1CCCO1.
What is the InChIKey of 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HBRTYWAQAQSUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-8-11(6-10(19-8)12(14)15)20(16,17)13(2)7-9-4-3-5-18-9/h6,9H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63329006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).