4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine

C14H21NO3S — CID 115070411

IUPAC4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine
SMILESCOc1ccccc1CCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C14H21NO3S/c1-18-14-5-3-2-4-12(14)8-11-19(16,17)13-6-9-15-10-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyZQAQBWMLBMDBID-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.40
Rot. Bonds5

About 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine

4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine (PubChem CID 115070411) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine
PubChem CID115070411
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine
SMILESCOc1ccccc1CCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C14H21NO3S/c1-18-14-5-3-2-4-12(14)8-11-19(16,17)13-6-9-15-10-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyZQAQBWMLBMDBID-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine
CID 167845563
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111
N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
CID 65422417
4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperidine
CID 82181339
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
N-[4-(2-methoxyphenyl)butyl]cyclopentanesulfonamide
CID 110408740
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
(3R)-N-[2-(2-methoxyphenyl)ethyl]-N-methylpyrrolidine-3-carboxamide
CID 124685580
1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583565
1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine?
The IUPAC name of 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine (CID 115070411) is 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine?
The canonical SMILES for 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine is COc1ccccc1CCS(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine?
The InChIKey is ZQAQBWMLBMDBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-18-14-5-3-2-4-12(14)8-11-19(16,17)13-6-9-15-10-7-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine?
4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine has a molecular weight of 283.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)ethylsulfonyl]piperidine is sourced from PubChem (CID 115070411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).