1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol

C14H21NO3S — CID 81103770

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1C
InChIInChI=1S/C14H21NO3S/c1-11-4-5-13(10-12(11)2)19(17,18)15-8-6-14(3,16)7-9-15/h4-5,10,16H,6-9H2,1-3H3
InChIKeyOSZTZNWPDUJAAR-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.84
Rot. Bonds2

About 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81103770) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81103770
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1C
InChIInChI=1S/C14H21NO3S/c1-11-4-5-13(10-12(11)2)19(17,18)15-8-6-14(3,16)7-9-15/h4-5,10,16H,6-9H2,1-3H3
InChIKeyOSZTZNWPDUJAAR-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

4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
1-(3-amino-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355073
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-2-methylbenzenecarbothioamide
CID 106920423
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
CID 81097436
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
1-tert-butyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074853
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol (CID 81103770) is 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol is Cc1ccc(S(=O)(=O)N2CCC(C)(O)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is OSZTZNWPDUJAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-4-5-13(10-12(11)2)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-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(3,4-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-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).