(1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol

C15H23NO2S — CID 134927719

IUPAC(1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol
SMILESCCN(CC)C[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-3-16(4-2)10-14(17)13-11-18-15(13)19-12-8-6-5-7-9-12/h5-9,13-15,17H,3-4,10-11H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyNIIMEHUOXXFMPW-RBSFLKMASA-N
MW281.42 g/mol
LogP2.45
Rot. Bonds7

About (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol

(1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol (PubChem CID 134927719) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol
PubChem CID134927719
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol
SMILESCCN(CC)C[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-3-16(4-2)10-14(17)13-11-18-15(13)19-12-8-6-5-7-9-12/h5-9,13-15,17H,3-4,10-11H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyNIIMEHUOXXFMPW-RBSFLKMASA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol with MolForge

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Related Compounds

(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140507732
(3S,4R)-4-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrrolidin-3-ol
CID 140545345
(3S,4R)-1-ethyl-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 145736769
1-[2-(4-Fluorophenyl)sulfanylethyl]-3-propan-2-ylazetidin-3-ol
CID 65938249
1-[2-(2-Fluorophenyl)sulfanylethyl]-3-propan-2-ylazetidin-3-ol
CID 65938861
3-[[2-(2-Fluorophenyl)sulfanylethyl-methylamino]methyl]cyclobutan-1-ol
CID 65994660
3-[[2-(4-Fluorophenyl)sulfanylethyl-methylamino]methyl]cyclobutan-1-ol
CID 65997428
1-[1-[2-(2-Fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol
CID 103657084
1-[1-[2-(4-Fluorophenyl)sulfanylethyl]piperidin-4-yl]ethanol
CID 103658629
1-[2-(2-Fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol
CID 103898304
1-[2-(4-Fluorophenyl)sulfanylethyl]-4-methylpiperidin-3-ol
CID 109950417
1-Cyclopropyl-2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]ethanol
CID 111858759

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol?
The IUPAC name of (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol (CID 134927719) is (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol.
What is the SMILES notation for (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol?
The canonical SMILES for (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol is CCN(CC)C[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1.
What is the InChIKey of (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol?
The InChIKey is NIIMEHUOXXFMPW-RBSFLKMASA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-16(4-2)10-14(17)13-11-18-15(13)19-12-8-6-5-7-9-12/h5-9,13-15,17H,3-4,10-11H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol?
(1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol has a molecular weight of 281.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(diethylamino)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]ethanol is sourced from PubChem (CID 134927719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).