(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol

C15H23NO3S — CID 118527312

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@@H](O)CN2CCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-13-5-7-15(8-6-13)20(18,19)12-14(17)11-16-9-3-2-4-10-16/h5-8,14,17H,2-4,9-12H2,1H3/t14-/m0/s1
InChIKeyGQFVTABOHHAMEU-AWEZNQCLSA-N
MW297.42 g/mol
LogP1.62
Rot. Bonds5

About (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol

(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol (PubChem CID 118527312) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol
PubChem CID118527312
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@@H](O)CN2CCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-13-5-7-15(8-6-13)20(18,19)12-14(17)11-16-9-3-2-4-10-16/h5-8,14,17H,2-4,9-12H2,1H3/t14-/m0/s1
InChIKeyGQFVTABOHHAMEU-AWEZNQCLSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694
N-[4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 71945543
sodium 2-hydroxy-3-pyrrolidin-1-ylpropane-1-sulfonate
CID 23721817
1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine
CID 892041
N-(2,5-dichlorophenyl)-N-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methylbenzenesulfonamide
CID 2884063
2-hydroxy-3-pyrrolidin-1-ylpropane-1-sulfonic acid
CID 12046466
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
CID 14640296
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
2-(4-methylphenyl)sulfonyl-1-phenyl-3-piperidin-1-ylpropan-1-one
CID 4204809
[2-hydroxy-3-(4-methylphenyl)sulfonylpropyl] thiocyanate
CID 15054848

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol (CID 118527312) is (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol is Cc1ccc(S(=O)(=O)C[C@@H](O)CN2CCCCC2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol?
The InChIKey is GQFVTABOHHAMEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-13-5-7-15(8-6-13)20(18,19)12-14(17)11-16-9-3-2-4-10-16/h5-8,14,17H,2-4,9-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol?
(2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol has a molecular weight of 297.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonyl-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 118527312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).