[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol

C16H25NO3S — CID 114597642

IUPAC[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC(C)CC(C)C2C)cc1CO
InChIInChI=1S/C16H25NO3S/c1-11-7-13(3)14(4)17(9-11)21(19,20)16-6-5-12(2)15(8-16)10-18/h5-6,8,11,13-14,18H,7,9-10H2,1-4H3
InChIKeyDKMVBBFBUIBHPL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.54
Rot. Bonds3

About [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol

[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol (PubChem CID 114597642) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
PubChem CID114597642
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC(C)CC(C)C2C)cc1CO
InChIInChI=1S/C16H25NO3S/c1-11-7-13(3)14(4)17(9-11)21(19,20)16-6-5-12(2)15(8-16)10-18/h5-6,8,11,13-14,18H,7,9-10H2,1-4H3
InChIKeyDKMVBBFBUIBHPL-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 114594596
1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107650396
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
4-(2,3,5-trimethylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 114593322
[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methanol
CID 114597646
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107327541
[6-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-3-pyridinyl]methanol
CID 114597620
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol (CID 114597642) is [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol is Cc1ccc(S(=O)(=O)N2CC(C)CC(C)C2C)cc1CO.
What is the InChIKey of [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is DKMVBBFBUIBHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-7-13(3)14(4)17(9-11)21(19,20)16-6-5-12(2)15(8-16)10-18/h5-6,8,11,13-14,18H,7,9-10H2,1-4H3.
What are the key properties of [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol?
[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 311.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 114597642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).