4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C11H16N2O5S — CID 43578740

IUPAC4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N(CCO)C2CC2)cc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-12-7-9(6-10(12)11(15)16)19(17,18)13(4-5-14)8-2-3-8/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeyHPXYFYLCPLPFNV-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.13
Rot. Bonds6

About 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 43578740) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID43578740
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N(CCO)C2CC2)cc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-12-7-9(6-10(12)11(15)16)19(17,18)13(4-5-14)8-2-3-8/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeyHPXYFYLCPLPFNV-UHFFFAOYSA-N
XLogP-0.13
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-azepanylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
CID 2810323
Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid
CID 8899665
ethyl 4-({[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}amino)piperidine-1-carboxylate
CID 3243586
ethyl 4-{[5-(ethoxycarbonyl)-1-methyl-1H-pyrrol-3-yl]sulfonyl}piperazine-1-carboxylate
CID 3245578
Ethyl 1-(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylpiperidine-3-carboxylate
CID 22515695
Ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
CID 22515783
Methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623771
methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 6625857
4-(4-Morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 7130946

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 43578740) is 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)N(CCO)C2CC2)cc1C(=O)O.
What is the InChIKey of 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is HPXYFYLCPLPFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-12-7-9(6-10(12)11(15)16)19(17,18)13(4-5-14)8-2-3-8/h6-8,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43578740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).