2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid

C10H17N3O4S — CID 43470084

IUPAC2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-3-4-5-9(10(14)15)12-18(16,17)8-6-11-13(2)7-8/h6-7,9,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyKWPRDMJPMLTWTR-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.34
Rot. Bonds7

About 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid

2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid (PubChem CID 43470084) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid
PubChem CID43470084
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-3-4-5-9(10(14)15)12-18(16,17)8-6-11-13(2)7-8/h6-7,9,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyKWPRDMJPMLTWTR-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1-methylpyrazol-4-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-methylpyrazol-4-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid (CID 43470084) is 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid?
The InChIKey is KWPRDMJPMLTWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-4-5-9(10(14)15)12-18(16,17)8-6-11-13(2)7-8/h6-7,9,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid?
2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid has a molecular weight of 275.33 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 43470084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).