(2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol

C20H25NOS — CID 141041802

IUPAC(2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol
SMILESO[C@@H](CCc1ccccc1)CN1CC[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C20H25NOS/c22-18(12-11-17-7-3-1-4-8-17)15-21-14-13-20(16-21)23-19-9-5-2-6-10-19/h1-10,18,20,22H,11-16H2/t18-,20+/m0/s1
InChIKeyDPDYTRYZQQEBAD-AZUAARDMSA-N
MW327.49 g/mol
LogP3.85
Rot. Bonds7

About (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol

(2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol (PubChem CID 141041802) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol
PubChem CID141041802
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC Name(2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol
SMILESO[C@@H](CCc1ccccc1)CN1CC[C@@H](Sc2ccccc2)C1
InChIInChI=1S/C20H25NOS/c22-18(12-11-17-7-3-1-4-8-17)15-21-14-13-20(16-21)23-19-9-5-2-6-10-19/h1-10,18,20,22H,11-16H2/t18-,20+/m0/s1
InChIKeyDPDYTRYZQQEBAD-AZUAARDMSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol with MolForge

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Related Compounds

1-pyrrolidin-1-yl-3-(9H-thioxanthen-9-yl)propan-2-ol
CID 71718000
3-(Dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-2-ol
CID 12549101
(2S)-1-pyrrolidin-1-ium-1-yl-3-(9H-thioxanthen-9-yl)propan-2-ol
CID 78225870
(2s)-1-(Pyrrolidin-1-Yl)-3-(9h-Thioxanthen-9-Yl)propan-2-Ol
CID 70699421
(2r)-1-(Pyrrolidin-1-Yl)-3-(9h-Thioxanthen-9-Yl)propan-2-Ol
CID 70699422
trans-1-Benzyl-4-phenylsulfanylpiperidin-3-ol
CID 129741488
1-[(4-Fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol
CID 46007299
1-[(4-Fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
CID 46007794
(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol
CID 93162453
(2S)-1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
CID 93164516
(2R)-1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
CID 93164517
1-(2,6-Difluorophenyl)-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethanol
CID 166216808

Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol?
The IUPAC name of (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol (CID 141041802) is (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol?
The canonical SMILES for (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol is O[C@@H](CCc1ccccc1)CN1CC[C@@H](Sc2ccccc2)C1.
What is the InChIKey of (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol?
The InChIKey is DPDYTRYZQQEBAD-AZUAARDMSA-N. The full InChI is InChI=1S/C20H25NOS/c22-18(12-11-17-7-3-1-4-8-17)15-21-14-13-20(16-21)23-19-9-5-2-6-10-19/h1-10,18,20,22H,11-16H2/t18-,20+/m0/s1.
What are the key properties of (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol?
(2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol has a molecular weight of 327.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-1-[(3R)-3-phenylsulfanylpyrrolidin-1-yl]butan-2-ol is sourced from PubChem (CID 141041802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).