5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol

C14H21NO3S — CID 52950936

IUPAC5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)CC(C)(C)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-11-4-6-13(7-5-11)19(17,18)15-9-12(16)8-14(2,3)10-15/h4-7,12,16H,8-10H2,1-3H3
InChIKeyOSAZIHJDZVAKSN-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.78
Rot. Bonds2

About 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol

5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol (PubChem CID 52950936) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
PubChem CID52950936
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)CC(C)(C)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-11-4-6-13(7-5-11)19(17,18)15-9-12(16)8-14(2,3)10-15/h4-7,12,16H,8-10H2,1-3H3
InChIKeyOSAZIHJDZVAKSN-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 98106436
5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 135054158
N-[5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]butanamide
CID 102579149
N-(benzenesulfonyl)-N-[(3R)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl]benzenesulfonamide
CID 162399997
(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044668
(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044550
1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.1]heptan-6-one
CID 21310580
(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 11983814
(1R,5S)-5-methyl-3-(4-methylphenyl)sulfonyl-6-oxa-3,7-diazabicyclo[3.2.1]octane
CID 11492900
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
(3R,5R)-3-fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5-phenylpiperidine
CID 71477070
(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 15418142

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol (CID 52950936) is 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol is Cc1ccc(S(=O)(=O)N2CC(O)CC(C)(C)C2)cc1.
What is the InChIKey of 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is OSAZIHJDZVAKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-4-6-13(7-5-11)19(17,18)15-9-12(16)8-14(2,3)10-15/h4-7,12,16H,8-10H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol?
5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 283.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 52950936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).