4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

C13H19NO5S2 — CID 114948667

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H19NO5S2/c1-9-11(7-10(20-9)12(15)16)21(18,19)14(2)8-13(17)5-3-4-6-13/h7,17H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyCRSFYFITVBHELU-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.68
Rot. Bonds5

About 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 114948667) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID114948667
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C13H19NO5S2/c1-9-11(7-10(20-9)12(15)16)21(18,19)14(2)8-13(17)5-3-4-6-13/h7,17H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyCRSFYFITVBHELU-UHFFFAOYSA-N
XLogP1.68
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329128
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63329006
5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112657989
4-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113475560
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103871344
N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 114951772
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 114948669
N-[(4-hydroxyoxan-4-yl)methyl]-N,4,5-trimethylthiophene-2-sulfonamide
CID 139012579
4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947090
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947133

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 114948667) is 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is CRSFYFITVBHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-9-11(7-10(20-9)12(15)16)21(18,19)14(2)8-13(17)5-3-4-6-13/h7,17H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114948667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).