4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C14H22N2O4S — CID 64741708

IUPAC4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)CC1C
InChIInChI=1S/C14H22N2O4S/c1-9-4-5-11(6-10(9)2)15-21(19,20)12-7-13(14(17)18)16(3)8-12/h7-11,15H,4-6H2,1-3H3,(H,17,18)
InChIKeyMIUPOWXYFVNYHN-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.83
Rot. Bonds4

About 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 64741708) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID64741708
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)CC1C
InChIInChI=1S/C14H22N2O4S/c1-9-4-5-11(6-10(9)2)15-21(19,20)12-7-13(14(17)18)16(3)8-12/h7-11,15H,4-6H2,1-3H3,(H,17,18)
InChIKeyMIUPOWXYFVNYHN-UHFFFAOYSA-N
XLogP1.83
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(6-oxopiperidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 63663509
4-[(1,1-dioxothian-3-yl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 63922118
methyl 4-(cyclooctylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515635
4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43420801
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
1-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 80714476
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 66004509
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644573
1-ethyl-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104655228
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 64741708) is 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is CC1CCC(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)CC1C.
What is the InChIKey of 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is MIUPOWXYFVNYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-9-4-5-11(6-10(9)2)15-21(19,20)12-7-13(14(17)18)16(3)8-12/h7-11,15H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 64741708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).