oxan-3-ylmethanesulfonamide

C6H13NO3S — CID 63740255

IUPACoxan-3-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCCOC1
InChIInChI=1S/C6H13NO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyRTWFKHFIHXXOIV-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.30
Rot. Bonds2

About oxan-3-ylmethanesulfonamide

oxan-3-ylmethanesulfonamide (PubChem CID 63740255) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is oxan-3-ylmethanesulfonamide.

Molecular Properties

Compound Nameoxan-3-ylmethanesulfonamide
PubChem CID63740255
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Nameoxan-3-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCCOC1
InChIInChI=1S/C6H13NO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyRTWFKHFIHXXOIV-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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Related Compounds

(Oxan-4-yl)methanesulfonamide
CID 18348472
Oxane-3-sulfonamide
CID 64175010
(Oxan-4-yl)methanesulfonyl chloride
CID 18348392
Oxane-4-sulfonamide
CID 54592548
Oxan-3-ylmethanesulfonyl chloride
CID 54595496
2-(Oxan-4-yl)ethane-1-sulfonamide
CID 71649239
2-(Oxan-4-yl)ethane-1-sulfonyl chloride
CID 86775610
2-(Oxan-3-yl)ethane-1-sulfonamide
CID 137951634
4-Fluorooxane-2-sulfonamide
CID 151662798
2,2,2-Trifluoro-1-(oxan-4-yl)ethanesulfonamide
CID 114827695
(Oxan-3-yl)methanesulfonyl fluoride
CID 115016119
3-Methyloxane-4-sulfonyl fluoride
CID 165460984

Frequently Asked Questions

What is the IUPAC name of oxan-3-ylmethanesulfonamide?
The IUPAC name of oxan-3-ylmethanesulfonamide (CID 63740255) is oxan-3-ylmethanesulfonamide.
What is the SMILES notation for oxan-3-ylmethanesulfonamide?
The canonical SMILES for oxan-3-ylmethanesulfonamide is NS(=O)(=O)CC1CCCOC1.
What is the InChIKey of oxan-3-ylmethanesulfonamide?
The InChIKey is RTWFKHFIHXXOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c7-11(8,9)5-6-2-1-3-10-4-6/h6H,1-5H2,(H2,7,8,9).
What are the key properties of oxan-3-ylmethanesulfonamide?
oxan-3-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-3-ylmethanesulfonamide is sourced from PubChem (CID 63740255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).