3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C10H15NO5S2 — CID 64551364

IUPAC3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCC(C)(CO)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C10H15NO5S2/c1-3-10(2,6-12)11-18(15,16)7-4-5-17-8(7)9(13)14/h4-5,11-12H,3,6H2,1-2H3,(H,13,14)
InChIKeyYVGNVUXKRSPATQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.89
Rot. Bonds6

About 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 64551364) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID64551364
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCC(C)(CO)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C10H15NO5S2/c1-3-10(2,6-12)11-18(15,16)7-4-5-17-8(7)9(13)14/h4-5,11-12H,3,6H2,1-2H3,(H,13,14)
InChIKeyYVGNVUXKRSPATQ-UHFFFAOYSA-N
XLogP0.89
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748874
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 64555451
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114153141
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-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
CID 82720672
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 64551163
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 64551364) is 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is CCC(C)(CO)NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is YVGNVUXKRSPATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-3-10(2,6-12)11-18(15,16)7-4-5-17-8(7)9(13)14/h4-5,11-12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 64551364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).