(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol

C14H23NOS — CID 79014025

IUPAC(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol
SMILESCCN(CC)CCSc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C14H23NOS/c1-4-15(5-2)10-11-17-14-8-6-13(7-9-14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyJUHVGWCFNJQJBA-GFCCVEGCSA-N
MW253.41 g/mol
LogP3.17
Rot. Bonds7

About (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol

(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol (PubChem CID 79014025) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol
PubChem CID79014025
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol
SMILESCCN(CC)CCSc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C14H23NOS/c1-4-15(5-2)10-11-17-14-8-6-13(7-9-14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyJUHVGWCFNJQJBA-GFCCVEGCSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
CID 63835748
6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
CID 107707278
N-ethyl-2-methyl-N-(2-phenylsulfanylethyl)butan-1-amine
CID 79481980
1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one
CID 112584005
1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol
CID 79390512
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
3-[ethyl(2-phenylsulfanylethyl)amino]-2-methylpropanethioamide
CID 79222046
3-[ethyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79227461
(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol
CID 113359142
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
1-[4-[3-(diethylamino)propoxy]phenyl]ethanol;4-[3-(dipropylamino)propoxy]benzonitrile
CID 70074611
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol (CID 79014025) is (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol is CCN(CC)CCSc1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol?
The InChIKey is JUHVGWCFNJQJBA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-15(5-2)10-11-17-14-8-6-13(7-9-14)12(3)16/h6-9,12,16H,4-5,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol?
(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol has a molecular weight of 253.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 79014025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).