1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine

C14H21NO3S — CID 778428

IUPAC1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-11-9-13(18-3)14(10-12(11)2)19(16,17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyHOIKLJWKPAJCHN-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.49
Rot. Bonds3

About 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine

1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine (PubChem CID 778428) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
PubChem CID778428
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-11-9-13(18-3)14(10-12(11)2)19(16,17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyHOIKLJWKPAJCHN-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347022
5-(azepan-1-ylsulfonyl)-2,4-dimethoxybenzoic acid
CID 20505968
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,4-diazepan-5-one
CID 110727945
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
3-cyclohexylsulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90594028

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine (CID 778428) is 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine is COc1cc(C)c(C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
The InChIKey is HOIKLJWKPAJCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-9-13(18-3)14(10-12(11)2)19(16,17)15-7-5-4-6-8-15/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine?
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine has a molecular weight of 283.39 g/mol, XLogP of 2.49, 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)sulfonylpiperidine is sourced from PubChem (CID 778428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).