3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C13H19NO5S2 — CID 102748534

IUPAC3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCN(CC1CCCO1)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C13H19NO5S2/c1-3-14(7-10-5-4-6-19-10)21(17,18)12-9(2)8-20-11(12)13(15)16/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyWIWYTQGHOKBKPB-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.94
Rot. Bonds6

About 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102748534) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102748534
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCN(CC1CCCO1)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C13H19NO5S2/c1-3-14(7-10-5-4-6-19-10)21(17,18)12-9(2)8-20-11(12)13(15)16/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyWIWYTQGHOKBKPB-UHFFFAOYSA-N
XLogP1.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748996
2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 61434279
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747558
N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
CID 51127502
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
N,4-dimethyl-2-(methylaminomethyl)-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide
CID 102752442
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748081
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
methyl 3-[ethyl(2-methoxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748537
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102748534) is 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is CCN(CC1CCCO1)S(=O)(=O)c1c(C)csc1C(=O)O.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is WIWYTQGHOKBKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-3-14(7-10-5-4-6-19-10)21(17,18)12-9(2)8-20-11(12)13(15)16/h8,10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102748534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).