N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide

C11H16N2O4S — CID 54905708

IUPACN-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCC2CCCOC2)c[nH]1
InChIInChI=1S/C11H16N2O4S/c14-11-4-3-10(7-12-11)18(15,16)13-6-9-2-1-5-17-8-9/h3-4,7,9,13H,1-2,5-6,8H2,(H,12,14)
InChIKeyRXOYTRDWZXRJDB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.08
Rot. Bonds4

About N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 54905708) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID54905708
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCC2CCCOC2)c[nH]1
InChIInChI=1S/C11H16N2O4S/c14-11-4-3-10(7-12-11)18(15,16)13-6-9-2-1-5-17-8-9/h3-4,7,9,13H,1-2,5-6,8H2,(H,12,14)
InChIKeyRXOYTRDWZXRJDB-UHFFFAOYSA-N
XLogP0.08
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226077
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
N-[(4-ethylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 60972507
N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55013696
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408
N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114148556
3-amino-4-hydroxy-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 61126988
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
4-fluoro-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 47072817
N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692335

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 54905708) is N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCC2CCCOC2)c[nH]1.
What is the InChIKey of N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is RXOYTRDWZXRJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c14-11-4-3-10(7-12-11)18(15,16)13-6-9-2-1-5-17-8-9/h3-4,7,9,13H,1-2,5-6,8H2,(H,12,14).
What are the key properties of N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 54905708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).