methyl 4-methylpiperidine-1-sulfinate

C7H15NO2S — CID 18342965

IUPACmethyl 4-methylpiperidine-1-sulfinate
SMILESCOS(=O)N1CCC(C)CC1
InChIInChI=1S/C7H15NO2S/c1-7-3-5-8(6-4-7)11(9)10-2/h7H,3-6H2,1-2H3
InChIKeyXWJXSHVIFDGDLO-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.94
Rot. Bonds2

About methyl 4-methylpiperidine-1-sulfinate

methyl 4-methylpiperidine-1-sulfinate (PubChem CID 18342965) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is methyl 4-methylpiperidine-1-sulfinate.

Molecular Properties

Compound Namemethyl 4-methylpiperidine-1-sulfinate
PubChem CID18342965
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Namemethyl 4-methylpiperidine-1-sulfinate
SMILESCOS(=O)N1CCC(C)CC1
InChIInChI=1S/C7H15NO2S/c1-7-3-5-8(6-4-7)11(9)10-2/h7H,3-6H2,1-2H3
InChIKeyXWJXSHVIFDGDLO-UHFFFAOYSA-N
XLogP0.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methylpiperidine-1-sulfinate?
The IUPAC name of methyl 4-methylpiperidine-1-sulfinate (CID 18342965) is methyl 4-methylpiperidine-1-sulfinate.
What is the SMILES notation for methyl 4-methylpiperidine-1-sulfinate?
The canonical SMILES for methyl 4-methylpiperidine-1-sulfinate is COS(=O)N1CCC(C)CC1.
What is the InChIKey of methyl 4-methylpiperidine-1-sulfinate?
The InChIKey is XWJXSHVIFDGDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7-3-5-8(6-4-7)11(9)10-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 4-methylpiperidine-1-sulfinate?
methyl 4-methylpiperidine-1-sulfinate has a molecular weight of 177.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylpiperidine-1-sulfinate is sourced from PubChem (CID 18342965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).