1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine

C7H12F2NO6S2- — CID 58962061

IUPAC1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine
SMILESO=S(=O)(COC(F)(F)SOO[O-])N1CCCCC1
InChIInChI=1S/C7H13F2NO6S2/c8-7(9,17-16-15-11)14-6-18(12,13)10-4-2-1-3-5-10/h11H,1-6H2/p-1
InChIKeyFHVQFINZXZIIRL-UHFFFAOYSA-M
MW308.30 g/mol
LogP0.20
Rot. Bonds7

About 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine

1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine (PubChem CID 58962061) has the molecular formula C7H12F2NO6S2- and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine.

Molecular Properties

Compound Name1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine
PubChem CID58962061
Molecular FormulaC7H12F2NO6S2-
Molecular Weight308.30 g/mol
Exact Mass308.01
IUPAC Name1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine
SMILESO=S(=O)(COC(F)(F)SOO[O-])N1CCCCC1
InChIInChI=1S/C7H13F2NO6S2/c8-7(9,17-16-15-11)14-6-18(12,13)10-4-2-1-3-5-10/h11H,1-6H2/p-1
InChIKeyFHVQFINZXZIIRL-UHFFFAOYSA-M
XLogP0.20
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine
CID 59672420
1-(oxidoperoxysulfanylmethylsulfonyl)azocane
CID 58898919
1,1,1-trichloro-3,3,3-trifluoro-2-(piperidin-1-ylsulfonylmethyl)propan-2-ol
CID 134101402
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
4-(azepan-1-ylsulfonyl)butan-1-amine
CID 28704736
2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 3688661
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride
CID 165475141
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
CID 75448158
N,N-diethyl-2-piperidin-1-ylsulfonylethanamine
CID 91417468

Frequently Asked Questions

What is the IUPAC name of 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine?
The IUPAC name of 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine (CID 58962061) is 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine.
What is the SMILES notation for 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine?
The canonical SMILES for 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine is O=S(=O)(COC(F)(F)SOO[O-])N1CCCCC1.
What is the InChIKey of 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine?
The InChIKey is FHVQFINZXZIIRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13F2NO6S2/c8-7(9,17-16-15-11)14-6-18(12,13)10-4-2-1-3-5-10/h11H,1-6H2/p-1.
What are the key properties of 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine?
1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine has a molecular weight of 308.30 g/mol, XLogP of 0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine is sourced from PubChem (CID 58962061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).