4-methylpiperidine;1-methylsulfonylpiperidin-4-one

C12H24N2O3S — CID 158739845

IUPAC4-methylpiperidine;1-methylsulfonylpiperidin-4-one
SMILESCC1CCNCC1.CS(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C6H11NO3S.C6H13N/c1-11(9,10)7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6/h2-5H2,1H3;6-7H,2-5H2,1H3
InChIKeyIMDPKNFVEBMHLU-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.62
Rot. Bonds1

About 4-methylpiperidine;1-methylsulfonylpiperidin-4-one

4-methylpiperidine;1-methylsulfonylpiperidin-4-one (PubChem CID 158739845) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-methylpiperidine;1-methylsulfonylpiperidin-4-one.

Molecular Properties

Compound Name4-methylpiperidine;1-methylsulfonylpiperidin-4-one
PubChem CID158739845
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-methylpiperidine;1-methylsulfonylpiperidin-4-one
SMILESCC1CCNCC1.CS(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C6H11NO3S.C6H13N/c1-11(9,10)7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6/h2-5H2,1H3;6-7H,2-5H2,1H3
InChIKeyIMDPKNFVEBMHLU-UHFFFAOYSA-N
XLogP0.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine;1-methylsulfonylpiperidin-4-one?
The IUPAC name of 4-methylpiperidine;1-methylsulfonylpiperidin-4-one (CID 158739845) is 4-methylpiperidine;1-methylsulfonylpiperidin-4-one.
What is the SMILES notation for 4-methylpiperidine;1-methylsulfonylpiperidin-4-one?
The canonical SMILES for 4-methylpiperidine;1-methylsulfonylpiperidin-4-one is CC1CCNCC1.CS(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of 4-methylpiperidine;1-methylsulfonylpiperidin-4-one?
The InChIKey is IMDPKNFVEBMHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S.C6H13N/c1-11(9,10)7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6/h2-5H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 4-methylpiperidine;1-methylsulfonylpiperidin-4-one?
4-methylpiperidine;1-methylsulfonylpiperidin-4-one has a molecular weight of 276.40 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine;1-methylsulfonylpiperidin-4-one is sourced from PubChem (CID 158739845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).