4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C11H15N3O5S — CID 43420801

IUPAC4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCC(=O)NC2CC2)cc1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-14-6-8(4-9(14)11(16)17)20(18,19)12-5-10(15)13-7-2-3-7/h4,6-7,12H,2-3,5H2,1H3,(H,13,15)(H,16,17)
InChIKeySDJKZUSUVYDYCB-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.72
Rot. Bonds6

About 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 43420801) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID43420801
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCC(=O)NC2CC2)cc1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-14-6-8(4-9(14)11(16)17)20(18,19)12-5-10(15)13-7-2-3-7/h4,6-7,12H,2-3,5H2,1H3,(H,13,15)(H,16,17)
InChIKeySDJKZUSUVYDYCB-UHFFFAOYSA-N
XLogP-0.72
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 66004509
4-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 115578393
4-[(3,4-dimethylcyclohexyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 64741708
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
4-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 60860756
3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43568411
1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43552078
4-(1,4-dithian-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 104654759
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 61403394

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 43420801) is 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)NCC(=O)NC2CC2)cc1C(=O)O.
What is the InChIKey of 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is SDJKZUSUVYDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-14-6-8(4-9(14)11(16)17)20(18,19)12-5-10(15)13-7-2-3-7/h4,6-7,12H,2-3,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of -0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43420801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).