1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid

C8H13N3O6S2 — CID 43552078

IUPAC1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCCS(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C8H13N3O6S2/c1-11-5-6(4-7(11)8(12)13)19(16,17)10-2-3-18(9,14)15/h4-5,10H,2-3H2,1H3,(H,12,13)(H2,9,14,15)
InChIKeyVKZMMAXTSBFRRI-UHFFFAOYSA-N
MW311.34 g/mol
LogP-1.71
Rot. Bonds6

About 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid

1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 43552078) has the molecular formula C8H13N3O6S2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID43552078
Molecular FormulaC8H13N3O6S2
Molecular Weight311.34 g/mol
Exact Mass311.02
IUPAC Name1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCCS(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C8H13N3O6S2/c1-11-5-6(4-7(11)8(12)13)19(16,17)10-2-3-18(9,14)15/h4-5,10H,2-3H2,1H3,(H,12,13)(H2,9,14,15)
InChIKeyVKZMMAXTSBFRRI-UHFFFAOYSA-N
XLogP-1.71
TPSA148.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 61403394
1-methyl-4-(4-methylsulfanylbutylsulfamoyl)pyrrole-2-carboxylic acid
CID 113437792
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
4-[(2-amino-2-oxoethoxy)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 112672409
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
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-[2-(dimethylazaniumyl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 28740496

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid (CID 43552078) is 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)NCCS(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is VKZMMAXTSBFRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O6S2/c1-11-5-6(4-7(11)8(12)13)19(16,17)10-2-3-18(9,14)15/h4-5,10H,2-3H2,1H3,(H,12,13)(H2,9,14,15).
What are the key properties of 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid?
1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of -1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43552078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).