4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid

C12H18N2O4S — CID 60952181

IUPAC4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)N(C)CC2CC2)cc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-3-14-8-10(6-11(14)12(15)16)19(17,18)13(2)7-9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyPSEWIJIUJKWHQA-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.24
Rot. Bonds6

About 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid

4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid (PubChem CID 60952181) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
PubChem CID60952181
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)N(C)CC2CC2)cc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-3-14-8-10(6-11(14)12(15)16)19(17,18)13(2)7-9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyPSEWIJIUJKWHQA-UHFFFAOYSA-N
XLogP1.24
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid (CID 60952181) is 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)N(C)CC2CC2)cc1C(=O)O.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is PSEWIJIUJKWHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-14-8-10(6-11(14)12(15)16)19(17,18)13(2)7-9-4-5-9/h6,8-9H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid?
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 60952181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).