1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine

C15H23NO3S — CID 47173276

IUPAC1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-11-6-5-7-16(10-11)20(17,18)15-12(2)8-14(19-4)9-13(15)3/h8-9,11H,5-7,10H2,1-4H3
InChIKeyKKYLWSJAKLNFEB-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine

1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine (PubChem CID 47173276) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
PubChem CID47173276
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-11-6-5-7-16(10-11)20(17,18)15-12(2)8-14(19-4)9-13(15)3/h8-9,11H,5-7,10H2,1-4H3
InChIKeyKKYLWSJAKLNFEB-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
CID 107327782
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191
N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107328540
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107325512
1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708600
1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978472
4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 102747498
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708727

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine (CID 47173276) is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine is COc1cc(C)c(S(=O)(=O)N2CCCC(C)C2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine?
The InChIKey is KKYLWSJAKLNFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-6-5-7-16(10-11)20(17,18)15-12(2)8-14(19-4)9-13(15)3/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine?
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 47173276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).