(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol

C19H23NO3S — CID 125145320

IUPAC(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol
SMILESCS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-24(22,23)17-11-9-16(10-12-17)19(21)14-20-13-5-8-18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3/t18-,19+/m0/s1
InChIKeyRVQWRHSMKTUIAP-RBUKOAKNSA-N
MW345.46 g/mol
LogP2.96
Rot. Bonds5

About (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol

(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol (PubChem CID 125145320) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol
PubChem CID125145320
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol
SMILESCS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-24(22,23)17-11-9-16(10-12-17)19(21)14-20-13-5-8-18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3/t18-,19+/m0/s1
InChIKeyRVQWRHSMKTUIAP-RBUKOAKNSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
CID 62266444
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 111488287
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
CID 110880168
2-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
CID 49233945
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 124739814
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 110897176
2-[4-(2-methylpropyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
CID 110897310
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
CID 125142936
1-cyclopentyl-3-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]imidazolidine-2,4-dione
CID 167771868
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol (CID 125145320) is (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol is CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol?
The InChIKey is RVQWRHSMKTUIAP-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-24(22,23)17-11-9-16(10-12-17)19(21)14-20-13-5-8-18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,18-19,21H,5,8,13-14H2,1H3/t18-,19+/m0/s1.
What are the key properties of (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol?
(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol has a molecular weight of 345.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 125145320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).