4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

C13H19NO5S2 — CID 106120685

IUPAC4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H19NO5S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)14-7-9-2-4-10(15)5-3-9/h6,9-10,14-15H,2-5,7H2,1H3,(H,16,17)
InChIKeyTTZLAWXFKMYPCB-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.58
Rot. Bonds5

About 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 106120685) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID106120685
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H19NO5S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)14-7-9-2-4-10(15)5-3-9/h6,9-10,14-15H,2-5,7H2,1H3,(H,16,17)
InChIKeyTTZLAWXFKMYPCB-UHFFFAOYSA-N
XLogP1.58
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-(cyclohex-3-en-1-ylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328574
5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 107416766
5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 71196416
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329133
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 106120685) is 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is TTZLAWXFKMYPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)14-7-9-2-4-10(15)5-3-9/h6,9-10,14-15H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 106120685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).