1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine

C14H21NO4S — CID 35287692

IUPAC1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C14H21NO4S/c1-11-9-12(18-2)13(19-3)10-14(11)20(16,17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyOYDQCVKKMINUTC-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.19
Rot. Bonds4

About 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine

1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine (PubChem CID 35287692) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine
PubChem CID35287692
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C14H21NO4S/c1-11-9-12(18-2)13(19-3)10-14(11)20(16,17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyOYDQCVKKMINUTC-UHFFFAOYSA-N
XLogP2.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine (CID 35287692) is 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine is COc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine?
The InChIKey is OYDQCVKKMINUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-9-12(18-2)13(19-3)10-14(11)20(16,17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine?
1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine has a molecular weight of 299.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 35287692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).