5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C11H15NO5S2 — CID 63296460

IUPAC5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(O)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-6-4-9(18-10(6)11(14)15)19(16,17)12-5-8(13)7-2-3-7/h4,7-8,12-13H,2-3,5H2,1H3,(H,14,15)
InChIKeyPZYCHZKAFRHCEO-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.80
Rot. Bonds6

About 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 63296460) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID63296460
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(O)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-6-4-9(18-10(6)11(14)15)19(16,17)12-5-8(13)7-2-3-7/h4,7-8,12-13H,2-3,5H2,1H3,(H,14,15)
InChIKeyPZYCHZKAFRHCEO-UHFFFAOYSA-N
XLogP0.80
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
CID 80577895
3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609986
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
5-[(1-hydroxycyclopentyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 65105762
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 63296460) is 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCC(O)C2CC2)sc1C(=O)O.
What is the InChIKey of 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is PZYCHZKAFRHCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-6-4-9(18-10(6)11(14)15)19(16,17)12-5-8(13)7-2-3-7/h4,7-8,12-13H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63296460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).