oxan-4-ylmethanesulfonamide

C6H13NO3S — CID 18348472

IUPACoxan-4-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C6H13NO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyLIYDRYVJVDFNJV-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.30
Rot. Bonds2

About oxan-4-ylmethanesulfonamide

oxan-4-ylmethanesulfonamide (PubChem CID 18348472) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is oxan-4-ylmethanesulfonamide.

Molecular Properties

Compound Nameoxan-4-ylmethanesulfonamide
PubChem CID18348472
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Nameoxan-4-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCOCC1
InChIInChI=1S/C6H13NO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyLIYDRYVJVDFNJV-UHFFFAOYSA-N
XLogP-0.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethanesulfonamide?
The IUPAC name of oxan-4-ylmethanesulfonamide (CID 18348472) is oxan-4-ylmethanesulfonamide.
What is the SMILES notation for oxan-4-ylmethanesulfonamide?
The canonical SMILES for oxan-4-ylmethanesulfonamide is NS(=O)(=O)CC1CCOCC1.
What is the InChIKey of oxan-4-ylmethanesulfonamide?
The InChIKey is LIYDRYVJVDFNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c7-11(8,9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,7,8,9).
What are the key properties of oxan-4-ylmethanesulfonamide?
oxan-4-ylmethanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethanesulfonamide is sourced from PubChem (CID 18348472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).