2-(3,4-dimethylphenyl)sulfonylpiperidine

C13H19NO2S — CID 117036510

IUPAC2-(3,4-dimethylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)C2CCCCN2)cc1C
InChIInChI=1S/C13H19NO2S/c1-10-6-7-12(9-11(10)2)17(15,16)13-5-3-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3
InChIKeyMXAQWMHTWGQWOI-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.18
Rot. Bonds2

About 2-(3,4-dimethylphenyl)sulfonylpiperidine

2-(3,4-dimethylphenyl)sulfonylpiperidine (PubChem CID 117036510) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfonylpiperidine
PubChem CID117036510
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(3,4-dimethylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)C2CCCCN2)cc1C
InChIInChI=1S/C13H19NO2S/c1-10-6-7-12(9-11(10)2)17(15,16)13-5-3-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3
InChIKeyMXAQWMHTWGQWOI-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonylpiperidine
CID 117036507
2-(4-ethylphenyl)sulfonylpiperidine
CID 117036513
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
2-thiophen-2-ylsulfonylpiperidine
CID 117036522
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
3-(3,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-one
CID 64910030

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfonylpiperidine (CID 117036510) is 2-(3,4-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)C2CCCCN2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfonylpiperidine?
The InChIKey is MXAQWMHTWGQWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-6-7-12(9-11(10)2)17(15,16)13-5-3-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfonylpiperidine?
2-(3,4-dimethylphenyl)sulfonylpiperidine has a molecular weight of 253.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 117036510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).