1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine

C13H19NO3S — CID 2843045

IUPAC1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C13H19NO3S/c1-11-5-3-4-10-14(11)18(15,16)13-8-6-12(17-2)7-9-13/h6-9,11H,3-5,10H2,1-2H3
InChIKeyYVZUDJRHJZHAHV-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.26
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine

1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine (PubChem CID 2843045) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine
PubChem CID2843045
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C13H19NO3S/c1-11-5-3-4-10-14(11)18(15,16)13-8-6-12(17-2)7-9-13/h6-9,11H,3-5,10H2,1-2H3
InChIKeyYVZUDJRHJZHAHV-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine (CID 2843045) is 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine is COc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is YVZUDJRHJZHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-5-3-4-10-14(11)18(15,16)13-8-6-12(17-2)7-9-13/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine?
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 269.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 2843045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).