3-methyl-1-propylsulfonylpiperidin-4-one

C9H17NO3S — CID 114500092

IUPAC3-methyl-1-propylsulfonylpiperidin-4-one
SMILESCCCS(=O)(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C9H17NO3S/c1-3-6-14(12,13)10-5-4-9(11)8(2)7-10/h8H,3-7H2,1-2H3
InChIKeyATCIRBQXRHUKEZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.64
Rot. Bonds3

About 3-methyl-1-propylsulfonylpiperidin-4-one

3-methyl-1-propylsulfonylpiperidin-4-one (PubChem CID 114500092) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-methyl-1-propylsulfonylpiperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-propylsulfonylpiperidin-4-one
PubChem CID114500092
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name3-methyl-1-propylsulfonylpiperidin-4-one
SMILESCCCS(=O)(=O)N1CCC(=O)C(C)C1
InChIInChI=1S/C9H17NO3S/c1-3-6-14(12,13)10-5-4-9(11)8(2)7-10/h8H,3-7H2,1-2H3
InChIKeyATCIRBQXRHUKEZ-UHFFFAOYSA-N
XLogP0.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-methylsulfonylpiperidin-4-one
CID 67386424
N-ethyl-3-methyl-4-oxopiperidine-1-sulfonamide
CID 114808687
N,N-diethyl-3-methyl-4-oxopiperidine-1-sulfonamide
CID 114500160
3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one
CID 114508541
3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114808689
4-[(3-methyl-4-oxopiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 114500111
2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863703
N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
CID 104931372
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one
CID 114500199
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
CID 164775491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propylsulfonylpiperidin-4-one?
The IUPAC name of 3-methyl-1-propylsulfonylpiperidin-4-one (CID 114500092) is 3-methyl-1-propylsulfonylpiperidin-4-one.
What is the SMILES notation for 3-methyl-1-propylsulfonylpiperidin-4-one?
The canonical SMILES for 3-methyl-1-propylsulfonylpiperidin-4-one is CCCS(=O)(=O)N1CCC(=O)C(C)C1.
What is the InChIKey of 3-methyl-1-propylsulfonylpiperidin-4-one?
The InChIKey is ATCIRBQXRHUKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-3-6-14(12,13)10-5-4-9(11)8(2)7-10/h8H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-propylsulfonylpiperidin-4-one?
3-methyl-1-propylsulfonylpiperidin-4-one has a molecular weight of 219.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylsulfonylpiperidin-4-one is sourced from PubChem (CID 114500092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).