2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid

C8H12N2O4S — CID 43294271

IUPAC2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C8H12N2O4S/c1-9-4-3-7(5-9)15(13,14)10(2)6-8(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyADZRIUZMBCHJQZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.27
Rot. Bonds4

About 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid

2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid (PubChem CID 43294271) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid
PubChem CID43294271
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C8H12N2O4S/c1-9-4-3-7(5-9)15(13,14)10(2)6-8(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyADZRIUZMBCHJQZ-UHFFFAOYSA-N
XLogP-0.27
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid (CID 43294271) is 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1ccn(C)c1.
What is the InChIKey of 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid?
The InChIKey is ADZRIUZMBCHJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-9-4-3-7(5-9)15(13,14)10(2)6-8(11)12/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid?
2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid has a molecular weight of 232.26 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 43294271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).