5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H17NO5S2 — CID 106359339

IUPAC5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CCCC2CO)sc1C(=O)O
InChIInChI=1S/C12H17NO5S2/c1-7-5-10(19-11(7)12(15)16)20(17,18)13-9-4-2-3-8(9)6-14/h5,8-9,13-14H,2-4,6H2,1H3,(H,15,16)
InChIKeyDXVXHMDHAMDZOP-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.19
Rot. Bonds5

About 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 106359339) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID106359339
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC2CCCC2CO)sc1C(=O)O
InChIInChI=1S/C12H17NO5S2/c1-7-5-10(19-11(7)12(15)16)20(17,18)13-9-4-2-3-8(9)6-14/h5,8-9,13-14H,2-4,6H2,1H3,(H,15,16)
InChIKeyDXVXHMDHAMDZOP-UHFFFAOYSA-N
XLogP1.19
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43314452
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609986
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 84596171
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide
CID 106367818
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 63296460

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 106359339) is 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NC2CCCC2CO)sc1C(=O)O.
What is the InChIKey of 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is DXVXHMDHAMDZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-7-5-10(19-11(7)12(15)16)20(17,18)13-9-4-2-3-8(9)6-14/h5,8-9,13-14H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 106359339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).