1-(4-methoxy-3-methylphenyl)sulfonylpiperidine

C13H19NO3S — CID 847007

IUPAC1-(4-methoxy-3-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C
InChIInChI=1S/C13H19NO3S/c1-11-10-12(6-7-13(11)17-2)18(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyHDTKLZINZGEPFG-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.18
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine

1-(4-methoxy-3-methylphenyl)sulfonylpiperidine (PubChem CID 847007) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonylpiperidine
PubChem CID847007
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C
InChIInChI=1S/C13H19NO3S/c1-11-10-12(6-7-13(11)17-2)18(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyHDTKLZINZGEPFG-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine (CID 847007) is 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCCCC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine?
The InChIKey is HDTKLZINZGEPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-10-12(6-7-13(11)17-2)18(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine?
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine has a molecular weight of 269.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 847007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).