1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one

C15H20N2O3S — CID 71653935

IUPAC1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
SMILESCC1CCCCN1S(=O)(=O)c1ccc(N2CCC2=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-12-4-2-3-10-17(12)21(19,20)14-7-5-13(6-8-14)16-11-9-15(16)18/h5-8,12H,2-4,9-11H2,1H3
InChIKeyVFNXADRXERYLBI-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.99
Rot. Bonds3

About 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one

1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one (PubChem CID 71653935) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one.

Molecular Properties

Compound Name1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
PubChem CID71653935
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
SMILESCC1CCCCN1S(=O)(=O)c1ccc(N2CCC2=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-12-4-2-3-10-17(12)21(19,20)14-7-5-13(6-8-14)16-11-9-15(16)18/h5-8,12H,2-4,9-11H2,1H3
InChIKeyVFNXADRXERYLBI-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
CID 110728255
(3S)-1-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 100804994
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]isoindole-1,3-dione
CID 71654095
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 17175034
1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 119969465
1-[4-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 110739907
2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 3173758
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one?
The IUPAC name of 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one (CID 71653935) is 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one.
What is the SMILES notation for 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one?
The canonical SMILES for 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one is CC1CCCCN1S(=O)(=O)c1ccc(N2CCC2=O)cc1.
What is the InChIKey of 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one?
The InChIKey is VFNXADRXERYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12-4-2-3-10-17(12)21(19,20)14-7-5-13(6-8-14)16-11-9-15(16)18/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one?
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one is sourced from PubChem (CID 71653935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).