1-(4-methylsulfanylphenyl)sulfonylpiperidine

C12H17NO2S2 — CID 966824

IUPAC1-(4-methylsulfanylphenyl)sulfonylpiperidine
SMILESCSc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H17NO2S2/c1-16-11-5-7-12(8-6-11)17(14,15)13-9-3-2-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKeyFRSFVRBOOVBQDF-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.58
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)sulfonylpiperidine

1-(4-methylsulfanylphenyl)sulfonylpiperidine (PubChem CID 966824) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)sulfonylpiperidine
PubChem CID966824
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name1-(4-methylsulfanylphenyl)sulfonylpiperidine
SMILESCSc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H17NO2S2/c1-16-11-5-7-12(8-6-11)17(14,15)13-9-3-2-4-10-13/h5-8H,2-4,9-10H2,1H3
InChIKeyFRSFVRBOOVBQDF-UHFFFAOYSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-methylsulfanylphenyl)sulfonylpiperidine (CID 966824) is 1-(4-methylsulfanylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)sulfonylpiperidine is CSc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)sulfonylpiperidine?
The InChIKey is FRSFVRBOOVBQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-16-11-5-7-12(8-6-11)17(14,15)13-9-3-2-4-10-13/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)sulfonylpiperidine?
1-(4-methylsulfanylphenyl)sulfonylpiperidine has a molecular weight of 271.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)sulfonylpiperidine is sourced from PubChem (CID 966824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).