4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

C11H16N2O6S2 — CID 82877605

IUPAC4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c1C(=O)O
InChIInChI=1S/C11H16N2O6S2/c1-7-10(11(14)15)9(6-12-7)13-21(18,19)8-2-4-20(16,17)5-3-8/h6,8,12-13H,2-5H2,1H3,(H,14,15)
InChIKeyKZDIQXIZSWHOIU-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.34
Rot. Bonds4

About 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82877605) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82877605
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC Name4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c1C(=O)O
InChIInChI=1S/C11H16N2O6S2/c1-7-10(11(14)15)9(6-12-7)13-21(18,19)8-2-4-20(16,17)5-3-8/h6,8,12-13H,2-5H2,1H3,(H,14,15)
InChIKeyKZDIQXIZSWHOIU-UHFFFAOYSA-N
XLogP0.34
TPSA133.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82877605) is 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c1C(=O)O.
What is the InChIKey of 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is KZDIQXIZSWHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c1-7-10(11(14)15)9(6-12-7)13-21(18,19)8-2-4-20(16,17)5-3-8/h6,8,12-13H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82877605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).