N-(oxan-4-ylmethyl)pyridine-3-sulfonamide

C11H16N2O3S — CID 110875682

IUPACN-(oxan-4-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1cccnc1
InChIInChI=1S/C11H16N2O3S/c14-17(15,11-2-1-5-12-9-11)13-8-10-3-6-16-7-4-10/h1-2,5,9-10,13H,3-4,6-8H2
InChIKeyKIZPTZBCDQWKJX-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.79
Rot. Bonds4

About N-(oxan-4-ylmethyl)pyridine-3-sulfonamide

N-(oxan-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 110875682) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID110875682
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(oxan-4-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1cccnc1
InChIInChI=1S/C11H16N2O3S/c14-17(15,11-2-1-5-12-9-11)13-8-10-3-6-16-7-4-10/h1-2,5,9-10,13H,3-4,6-8H2
InChIKeyKIZPTZBCDQWKJX-UHFFFAOYSA-N
XLogP0.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxan-4-ylmethyl)pyridine-3-sulfonamide 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 N-(oxan-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(oxan-4-ylmethyl)pyridine-3-sulfonamide (CID 110875682) is N-(oxan-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(oxan-4-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCC1CCOCC1)c1cccnc1.
What is the InChIKey of N-(oxan-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is KIZPTZBCDQWKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-17(15,11-2-1-5-12-9-11)13-8-10-3-6-16-7-4-10/h1-2,5,9-10,13H,3-4,6-8H2.
What are the key properties of N-(oxan-4-ylmethyl)pyridine-3-sulfonamide?
N-(oxan-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 110875682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).