4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol

C16H25NO3S — CID 81097436

IUPAC4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C)(O)CC2)c1C
InChIInChI=1S/C16H25NO3S/c1-11-10-12(2)14(4)15(13(11)3)21(19,20)17-8-6-16(5,18)7-9-17/h10,18H,6-9H2,1-5H3
InChIKeyOCFSCMABZFWRCH-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.46
Rot. Bonds2

About 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol

4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol (PubChem CID 81097436) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
PubChem CID81097436
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C)(O)CC2)c1C
InChIInChI=1S/C16H25NO3S/c1-11-10-12(2)14(4)15(13(11)3)21(19,20)17-8-6-16(5,18)7-9-17/h10,18H,6-9H2,1-5H3
InChIKeyOCFSCMABZFWRCH-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106504815
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
1-methyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium
CID 7406129
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-methylazepan-4-ol
CID 107403545
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096444
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol (CID 81097436) is 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C)(O)CC2)c1C.
What is the InChIKey of 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is OCFSCMABZFWRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-10-12(2)14(4)15(13(11)3)21(19,20)17-8-6-16(5,18)7-9-17/h10,18H,6-9H2,1-5H3.
What are the key properties of 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol?
4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 311.45 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 81097436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).