4-methylsulfanyloxy-1-methylsulfonylpiperidine

C7H15NO3S2 — CID 123304187

IUPAC4-methylsulfanyloxy-1-methylsulfonylpiperidine
SMILESCSOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO3S2/c1-12-11-7-3-5-8(6-4-7)13(2,9)10/h7H,3-6H2,1-2H3
InChIKeyTZPGROHPJFOTED-UHFFFAOYSA-N
MW225.33 g/mol
LogP0.70
Rot. Bonds3

About 4-methylsulfanyloxy-1-methylsulfonylpiperidine

4-methylsulfanyloxy-1-methylsulfonylpiperidine (PubChem CID 123304187) has the molecular formula C7H15NO3S2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-methylsulfanyloxy-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-methylsulfanyloxy-1-methylsulfonylpiperidine
PubChem CID123304187
Molecular FormulaC7H15NO3S2
Molecular Weight225.33 g/mol
Exact Mass225.05
IUPAC Name4-methylsulfanyloxy-1-methylsulfonylpiperidine
SMILESCSOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C7H15NO3S2/c1-12-11-7-3-5-8(6-4-7)13(2,9)10/h7H,3-6H2,1-2H3
InChIKeyTZPGROHPJFOTED-UHFFFAOYSA-N
XLogP0.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
1-methylsulfonylpiperidine-4-thiol
CID 130490648
1-methylsulfonyl-3-propan-2-yloxypyrrolidine
CID 58139945
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine
CID 75375409
4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
CID 162383208
3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
4-(1-methylcyclopropyl)-1-methylsulfonylpiperidine
CID 58054117
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
(1-methylsulfonylpiperidin-4-yl)-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725414

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyloxy-1-methylsulfonylpiperidine?
The IUPAC name of 4-methylsulfanyloxy-1-methylsulfonylpiperidine (CID 123304187) is 4-methylsulfanyloxy-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-methylsulfanyloxy-1-methylsulfonylpiperidine?
The canonical SMILES for 4-methylsulfanyloxy-1-methylsulfonylpiperidine is CSOC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfanyloxy-1-methylsulfonylpiperidine?
The InChIKey is TZPGROHPJFOTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S2/c1-12-11-7-3-5-8(6-4-7)13(2,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 4-methylsulfanyloxy-1-methylsulfonylpiperidine?
4-methylsulfanyloxy-1-methylsulfonylpiperidine has a molecular weight of 225.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyloxy-1-methylsulfonylpiperidine is sourced from PubChem (CID 123304187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).