(3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one

C24H23NO2S — CID 67836097

IUPAC(3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one
SMILESCC(O)[C@@H]1C(=O)N[C@@H]1SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2S/c1-17(26)21-22(27)25-23(21)28-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21,23,26H,1H3,(H,25,27)/t17?,21-,23-/m1/s1
InChIKeyZWWOGAZJGMVSTC-XQAYDEMESA-N
MW389.52 g/mol
LogP4.16
Rot. Bonds6

About (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one

(3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one (PubChem CID 67836097) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one
PubChem CID67836097
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name(3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one
SMILESCC(O)[C@@H]1C(=O)N[C@@H]1SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2S/c1-17(26)21-22(27)25-23(21)28-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21,23,26H,1H3,(H,25,27)/t17?,21-,23-/m1/s1
InChIKeyZWWOGAZJGMVSTC-XQAYDEMESA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(1-phenoxyethyl)-4-tritylsulfanylazetidin-2-one
CID 70499069
ethyl [2,2,2-trichloro-1-(2-oxo-4-tritylsulfanylazetidin-3-yl)ethyl] carbonate
CID 139632216
3-(2-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-tritylsulfanylazetidin-2-one
CID 173406629
(3S,4S)-3-[(1R)-1-hydroxyethyl]-4-[(4S)-2-phenyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 139795483
(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one
CID 55302117
2-[(2S,3R)-3-[(1S)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
CID 175279308
2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
CID 175279299
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
(3S,6R)-3-(tert-butylsulfanylmethyl)-6-[[[(2R,5S)-5-(tert-butylsulfanylmethyl)-3,6-dioxopiperazin-2-yl]methyldisulfanyl]methyl]piperazine-2,5-dione;(3S,6R)-3-(tert-butylsulfanylmethyl)-6-(tritylsulfanylmethyl)piperazine-2,5-dione
CID 159635306
(3R,4S)-4-(2-hydroxyethylsulfanyl)-3-(tritylamino)azetidin-2-one
CID 56613969
(3R,4R)-4-(2-hydroxyethylsulfanyl)-3-(tritylamino)azetidin-2-one
CID 54219948
1-methyl-4-tritylsulfanylazetidin-2-one
CID 21290535

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one?
The IUPAC name of (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one (CID 67836097) is (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one is CC(O)[C@@H]1C(=O)N[C@@H]1SC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one?
The InChIKey is ZWWOGAZJGMVSTC-XQAYDEMESA-N. The full InChI is InChI=1S/C24H23NO2S/c1-17(26)21-22(27)25-23(21)28-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21,23,26H,1H3,(H,25,27)/t17?,21-,23-/m1/s1.
What are the key properties of (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one?
(3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one has a molecular weight of 389.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(1-hydroxyethyl)-4-tritylsulfanylazetidin-2-one is sourced from PubChem (CID 67836097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).