3-[2-(3-methylphenyl)ethylsulfonyl]piperidine

C14H21NO2S — CID 115070423

IUPAC3-[2-(3-methylphenyl)ethylsulfonyl]piperidine
SMILESCc1cccc(CCS(=O)(=O)C2CCCNC2)c1
InChIInChI=1S/C14H21NO2S/c1-12-4-2-5-13(10-12)7-9-18(16,17)14-6-3-8-15-11-14/h2,4-5,10,14-15H,3,6-9,11H2,1H3
InChIKeyWSHRAEYFLWZSOR-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.70
Rot. Bonds4

About 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine

3-[2-(3-methylphenyl)ethylsulfonyl]piperidine (PubChem CID 115070423) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)ethylsulfonyl]piperidine
PubChem CID115070423
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-[2-(3-methylphenyl)ethylsulfonyl]piperidine
SMILESCc1cccc(CCS(=O)(=O)C2CCCNC2)c1
InChIInChI=1S/C14H21NO2S/c1-12-4-2-5-13(10-12)7-9-18(16,17)14-6-3-8-15-11-14/h2,4-5,10,14-15H,3,6-9,11H2,1H3
InChIKeyWSHRAEYFLWZSOR-UHFFFAOYSA-N
XLogP1.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methylsulfanyl]piperidine
CID 62766415
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968347
3-[2-(4-methylphenyl)ethylsulfonyl]azetidine
CID 115070382
ethyl 3-(piperidin-3-ylsulfonylmethyl)benzoate
CID 84755088
N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 82132898
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83034566
2-(3-methylphenyl)ethanesulfonic acid
CID 87590537
2-(3-methylphenyl)-1-piperidin-3-ylethanol
CID 79019455

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine?
The IUPAC name of 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine (CID 115070423) is 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine.
What is the SMILES notation for 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine?
The canonical SMILES for 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine is Cc1cccc(CCS(=O)(=O)C2CCCNC2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine?
The InChIKey is WSHRAEYFLWZSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-4-2-5-13(10-12)7-9-18(16,17)14-6-3-8-15-11-14/h2,4-5,10,14-15H,3,6-9,11H2,1H3.
What are the key properties of 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine?
3-[2-(3-methylphenyl)ethylsulfonyl]piperidine has a molecular weight of 267.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)ethylsulfonyl]piperidine is sourced from PubChem (CID 115070423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).