1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine

C14H21NO4S2 — CID 154455916

IUPAC1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C14H21NO4S2/c1-20(16,17)13-5-7-14(8-6-13)21(18,19)12-11-15-9-3-2-4-10-15/h5-8H,2-4,9-12H2,1H3
InChIKeyAJCBKKVINAOVFK-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.35
Rot. Bonds5

About 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine

1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine (PubChem CID 154455916) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
PubChem CID154455916
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C14H21NO4S2/c1-20(16,17)13-5-7-14(8-6-13)21(18,19)12-11-15-9-3-2-4-10-15/h5-8H,2-4,9-12H2,1H3
InChIKeyAJCBKKVINAOVFK-UHFFFAOYSA-N
XLogP1.35
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine?
The IUPAC name of 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine (CID 154455916) is 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine.
What is the SMILES notation for 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine?
The canonical SMILES for 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine is CS(=O)(=O)c1ccc(S(=O)(=O)CCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine?
The InChIKey is AJCBKKVINAOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-20(16,17)13-5-7-14(8-6-13)21(18,19)12-11-15-9-3-2-4-10-15/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine?
1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine has a molecular weight of 331.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine is sourced from PubChem (CID 154455916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).