1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine

C16H25NO3S — CID 43845453

IUPAC1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H25NO3S/c1-11-6-12(2)10-17(9-11)21(18,19)16-8-14(4)13(3)7-15(16)20-5/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyFJTNFMCISJJOHE-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine

1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 43845453) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID43845453
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H25NO3S/c1-11-6-12(2)10-17(9-11)21(18,19)16-8-14(4)13(3)7-15(16)20-5/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyFJTNFMCISJJOHE-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
(3R,5R)-1-(2-methoxy-4-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 39618064
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
3-cyclohexylsulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90594028
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7749543
(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 43097472
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine (CID 43845453) is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine is COc1cc(C)c(C)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is FJTNFMCISJJOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-6-12(2)10-17(9-11)21(18,19)16-8-14(4)13(3)7-15(16)20-5/h7-8,11-12H,6,9-10H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine?
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 311.45 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 43845453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).