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

C11H18N2O4S — CID 43470087

IUPAC2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccn(C)c1)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-3-4-5-10(11(14)15)12-18(16,17)9-6-7-13(2)8-9/h6-8,10,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyCAUJCNWVWYKHAB-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.95
Rot. Bonds7

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

2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid (PubChem CID 43470087) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid
PubChem CID43470087
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccn(C)c1)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-3-4-5-10(11(14)15)12-18(16,17)9-6-7-13(2)8-9/h6-8,10,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyCAUJCNWVWYKHAB-UHFFFAOYSA-N
XLogP0.95
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic 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 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid (CID 43470087) is 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1ccn(C)c1)C(=O)O.
What is the InChIKey of 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid?
The InChIKey is CAUJCNWVWYKHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-4-5-10(11(14)15)12-18(16,17)9-6-7-13(2)8-9/h6-8,10,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid?
2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid has a molecular weight of 274.34 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-3-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 43470087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).