5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid

C13H19NO5S2 — CID 103965509

IUPAC5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2(CO)CCCCC2)s1
InChIInChI=1S/C13H19NO5S2/c15-9-13(6-2-1-3-7-13)8-14-21(18,19)11-5-4-10(20-11)12(16)17/h4-5,14-15H,1-3,6-9H2,(H,16,17)
InChIKeyCGLSNOQSSRFOCC-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.67
Rot. Bonds6

About 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid

5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 103965509) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID103965509
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2(CO)CCCCC2)s1
InChIInChI=1S/C13H19NO5S2/c15-9-13(6-2-1-3-7-13)8-14-21(18,19)11-5-4-10(20-11)12(16)17/h4-5,14-15H,1-3,6-9H2,(H,16,17)
InChIKeyCGLSNOQSSRFOCC-UHFFFAOYSA-N
XLogP1.67
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114107579
5-[(1-hydroxy-3-methylcyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65115857
5-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 115755592
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide
CID 103970067
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 115755568
5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
CID 61026859
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid (CID 103965509) is 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCC2(CO)CCCCC2)s1.
What is the InChIKey of 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is CGLSNOQSSRFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c15-9-13(6-2-1-3-7-13)8-14-21(18,19)11-5-4-10(20-11)12(16)17/h4-5,14-15H,1-3,6-9H2,(H,16,17).
What are the key properties of 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid?
5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103965509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).