6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide

C11H17N3O3S — CID 134319004

IUPAC6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2CCOCC2)nc1
InChIInChI=1S/C11H17N3O3S/c12-18(15,16)10-1-2-11(14-8-10)13-7-9-3-5-17-6-4-9/h1-2,8-9H,3-7H2,(H,13,14)(H2,12,15,16)
InChIKeyCLEHNBSOXICFHI-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.57
Rot. Bonds4

About 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide

6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide (PubChem CID 134319004) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
PubChem CID134319004
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2CCOCC2)nc1
InChIInChI=1S/C11H17N3O3S/c12-18(15,16)10-1-2-11(14-8-10)13-7-9-3-5-17-6-4-9/h1-2,8-9H,3-7H2,(H,13,14)(H2,12,15,16)
InChIKeyCLEHNBSOXICFHI-UHFFFAOYSA-N
XLogP0.57
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The IUPAC name of 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide (CID 134319004) is 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(NCC2CCOCC2)nc1.
What is the InChIKey of 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
The InChIKey is CLEHNBSOXICFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c12-18(15,16)10-1-2-11(14-8-10)13-7-9-3-5-17-6-4-9/h1-2,8-9H,3-7H2,(H,13,14)(H2,12,15,16).
What are the key properties of 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide?
6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 134319004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).