4-(4-methoxy-2-methylphenyl)sulfonylpiperidine

C13H19NO3S — CID 82305645

IUPAC4-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCNCC2)c(C)c1
InChIInChI=1S/C13H19NO3S/c1-10-9-11(17-2)3-4-13(10)18(15,16)12-5-7-14-8-6-12/h3-4,9,12,14H,5-8H2,1-2H3
InChIKeyHBBMHXHWHRSKGS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds3

About 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine

4-(4-methoxy-2-methylphenyl)sulfonylpiperidine (PubChem CID 82305645) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)sulfonylpiperidine
PubChem CID82305645
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)C2CCNCC2)c(C)c1
InChIInChI=1S/C13H19NO3S/c1-10-9-11(17-2)3-4-13(10)18(15,16)12-5-7-14-8-6-12/h3-4,9,12,14H,5-8H2,1-2H3
InChIKeyHBBMHXHWHRSKGS-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine (CID 82305645) is 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)C2CCNCC2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The InChIKey is HBBMHXHWHRSKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-9-11(17-2)3-4-13(10)18(15,16)12-5-7-14-8-6-12/h3-4,9,12,14H,5-8H2,1-2H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
4-(4-methoxy-2-methylphenyl)sulfonylpiperidine has a molecular weight of 269.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 82305645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).