(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol

C19H23NO3S — CID 71665857

IUPAC(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(22,23)20-14-6-5-9-18(20)19(21)16-7-3-2-4-8-16/h2-4,7-8,10-13,18-19,21H,5-6,9,14H2,1H3/t18-,19+/m1/s1
InChIKeySIJXLCIARBDCLZ-MOPGFXCFSA-N
MW345.46 g/mol
LogP3.27
Rot. Bonds4

About (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol

(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol (PubChem CID 71665857) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
PubChem CID71665857
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(22,23)20-14-6-5-9-18(20)19(21)16-7-3-2-4-8-16/h2-4,7-8,10-13,18-19,21H,5-6,9,14H2,1H3/t18-,19+/m1/s1
InChIKeySIJXLCIARBDCLZ-MOPGFXCFSA-N
XLogP3.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970
2-[methoxy(phenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101498741
(1S)-1-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-2-nitroethanol
CID 101201550
[(S)-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethyl] 2,2,2-trifluoroacetate
CID 101497880
(2S)-2-[(1S)-1-iodoethyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101191700
1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
CID 55256671
(R)-[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]-phenylmethanol
CID 102373671
(2R)-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 102214953
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 68909683
1-(4-methylphenyl)sulfonylpiperidine-2-carbaldehyde
CID 11140100
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899

Frequently Asked Questions

What is the IUPAC name of (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol?
The IUPAC name of (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol (CID 71665857) is (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol is Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol?
The InChIKey is SIJXLCIARBDCLZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-10-12-17(13-11-15)24(22,23)20-14-6-5-9-18(20)19(21)16-7-3-2-4-8-16/h2-4,7-8,10-13,18-19,21H,5-6,9,14H2,1H3/t18-,19+/m1/s1.
What are the key properties of (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol?
(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol has a molecular weight of 345.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol is sourced from PubChem (CID 71665857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).