oxan-2-ylmethanesulfonamide

C6H13NO3S — CID 47003000

IUPACoxan-2-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C6H13NO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyRWYAZIMAJKYECI-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.16
Rot. Bonds2

About oxan-2-ylmethanesulfonamide

oxan-2-ylmethanesulfonamide (PubChem CID 47003000) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is oxan-2-ylmethanesulfonamide.

Molecular Properties

Compound Nameoxan-2-ylmethanesulfonamide
PubChem CID47003000
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Nameoxan-2-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C6H13NO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyRWYAZIMAJKYECI-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxane-3-sulfonamide
CID 64175010
(Oxan-2-yl)methanesulfonyl chloride
CID 21224521
Oxane-4-sulfonamide
CID 54592548
Oxolan-2-ylmethanesulfonamide
CID 61064069
2-(Oxolan-2-yl)ethane-1-sulfonamide
CID 65162856
4-Methoxycyclohexane-1-sulfonamide
CID 104459237
2-(Cyclohexyloxy)ethane-1-sulfonamide
CID 64200904
2-(Oxan-4-yloxy)ethane-1-sulfonamide
CID 64203221
2-(Oxan-2-yl)ethane-1-sulfonamide
CID 126970892
(6-Methyloxan-2-yl)methanesulfonyl chloride
CID 131420775
rac-[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride
CID 155973813
4-Fluorooxane-2-sulfonamide
CID 151662798

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethanesulfonamide?
The IUPAC name of oxan-2-ylmethanesulfonamide (CID 47003000) is oxan-2-ylmethanesulfonamide.
What is the SMILES notation for oxan-2-ylmethanesulfonamide?
The canonical SMILES for oxan-2-ylmethanesulfonamide is NS(=O)(=O)CC1CCCCO1.
What is the InChIKey of oxan-2-ylmethanesulfonamide?
The InChIKey is RWYAZIMAJKYECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H2,7,8,9).
What are the key properties of oxan-2-ylmethanesulfonamide?
oxan-2-ylmethanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethanesulfonamide is sourced from PubChem (CID 47003000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).