1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol

C14H21NO3S — CID 81104027

IUPAC1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C)(O)CC2)c1
InChIInChI=1S/C14H21NO3S/c1-11-4-5-12(2)13(10-11)19(17,18)15-8-6-14(3,16)7-9-15/h4-5,10,16H,6-9H2,1-3H3
InChIKeyZOUOURBKQCSOHU-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.84
Rot. Bonds2

About 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol

1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81104027) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81104027
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C)(O)CC2)c1
InChIInChI=1S/C14H21NO3S/c1-11-4-5-12(2)13(10-11)19(17,18)15-8-6-14(3,16)7-9-15/h4-5,10,16H,6-9H2,1-3H3
InChIKeyZOUOURBKQCSOHU-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-4,4-difluoropiperidine
CID 139027359
3-(4-hydroxy-4-methylazepan-1-yl)sulfonyl-4-methylbenzonitrile
CID 107404581
1-[5-(aminomethyl)-2-methylphenyl]sulfonyl-4-methylazepan-4-ol
CID 107404137
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 5171173
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol (CID 81104027) is 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol is Cc1ccc(C)c(S(=O)(=O)N2CCC(C)(O)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is ZOUOURBKQCSOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-4-5-12(2)13(10-11)19(17,18)15-8-6-14(3,16)7-9-15/h4-5,10,16H,6-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 283.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81104027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).