5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid

C13H19NO5S2 — CID 65115857

IUPAC5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC1CCCC(O)(CNS(=O)(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C13H19NO5S2/c1-9-3-2-6-13(17,7-9)8-14-21(18,19)11-5-4-10(20-11)12(15)16/h4-5,9,14,17H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyMDUXUAQOGGFYCI-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.67
Rot. Bonds5

About 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid

5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 65115857) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID65115857
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCC1CCCC(O)(CNS(=O)(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C13H19NO5S2/c1-9-3-2-6-13(17,7-9)8-14-21(18,19)11-5-4-10(20-11)12(15)16/h4-5,9,14,17H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyMDUXUAQOGGFYCI-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 65115857) is 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid is CC1CCCC(O)(CNS(=O)(=O)c2ccc(C(=O)O)s2)C1.
What is the InChIKey of 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is MDUXUAQOGGFYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-9-3-2-6-13(17,7-9)8-14-21(18,19)11-5-4-10(20-11)12(15)16/h4-5,9,14,17H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 65115857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).