1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine

C14H21NO4S — CID 761426

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C14H21NO4S/c1-11-6-8-15(9-7-11)20(16,17)12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyBFADVAGCIGKYRG-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.12
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine

1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine (PubChem CID 761426) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine
PubChem CID761426
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1OC
InChIInChI=1S/C14H21NO4S/c1-11-6-8-15(9-7-11)20(16,17)12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyBFADVAGCIGKYRG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine (CID 761426) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine is COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine?
The InChIKey is BFADVAGCIGKYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-6-8-15(9-7-11)20(16,17)12-4-5-13(18-2)14(10-12)19-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine has a molecular weight of 299.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 761426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).