oxane-4-sulfonamide

C5H11NO3S — CID 54592548

IUPACoxane-4-sulfonamide
SMILESNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C5H11NO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,6,7,8)
InChIKeyKHNSAYUHYIAYEZ-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.55
Rot. Bonds1

About oxane-4-sulfonamide

oxane-4-sulfonamide (PubChem CID 54592548) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is oxane-4-sulfonamide.

Molecular Properties

Compound Nameoxane-4-sulfonamide
PubChem CID54592548
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Nameoxane-4-sulfonamide
SMILESNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C5H11NO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,6,7,8)
InChIKeyKHNSAYUHYIAYEZ-UHFFFAOYSA-N
XLogP-0.55
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sodium oxane-4-sulfinate
CID 75355955
(Oxan-4-yl)methanesulfonamide
CID 18348472
Oxane-3-sulfonamide
CID 64175010
Oxane-4-sulfonyl chloride
CID 22637030
Oxan-2-ylmethanesulfonamide
CID 47003000
Oxane-3-sulfonyl chloride
CID 53484596
Oxane-4-sulfonyl fluoride
CID 54594802
2-(Oxan-4-yloxy)ethane-1-sulfonamide
CID 64203221
2-(Oxan-4-yl)ethane-1-sulfonamide
CID 71649239
2-(Oxan-2-yl)ethane-1-sulfonamide
CID 126970892
Sodium oxane-4-sulfonate
CID 58782985
CID 67087988
CID 67087988

Frequently Asked Questions

What is the IUPAC name of oxane-4-sulfonamide?
The IUPAC name of oxane-4-sulfonamide (CID 54592548) is oxane-4-sulfonamide.
What is the SMILES notation for oxane-4-sulfonamide?
The canonical SMILES for oxane-4-sulfonamide is NS(=O)(=O)C1CCOCC1.
What is the InChIKey of oxane-4-sulfonamide?
The InChIKey is KHNSAYUHYIAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,6,7,8).
What are the key properties of oxane-4-sulfonamide?
oxane-4-sulfonamide has a molecular weight of 165.21 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-4-sulfonamide is sourced from PubChem (CID 54592548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).