2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol

C20H25NO2S — CID 111333651

IUPAC2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
SMILESO=S(CCN(CCO)C1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H25NO2S/c22-15-13-21(14-16-24(23)18-9-2-1-3-10-18)20-12-6-8-17-7-4-5-11-19(17)20/h1-5,7,9-11,20,22H,6,8,12-16H2
InChIKeyRFRJOJQPIAEOPD-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.17
Rot. Bonds7

About 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol

2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol (PubChem CID 111333651) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
PubChem CID111333651
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
SMILESO=S(CCN(CCO)C1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H25NO2S/c22-15-13-21(14-16-24(23)18-9-2-1-3-10-18)20-12-6-8-17-7-4-5-11-19(17)20/h1-5,7,9-11,20,22H,6,8,12-16H2
InChIKeyRFRJOJQPIAEOPD-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol
CID 111102009
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 111799408
5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile
CID 111565121
2-[propyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064550
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-prop-2-enylacetamide
CID 111332324
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidin-2-one
CID 111544106
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol?
The IUPAC name of 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol (CID 111333651) is 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol.
What is the SMILES notation for 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol?
The canonical SMILES for 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol is O=S(CCN(CCO)C1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol?
The InChIKey is RFRJOJQPIAEOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c22-15-13-21(14-16-24(23)18-9-2-1-3-10-18)20-12-6-8-17-7-4-5-11-19(17)20/h1-5,7,9-11,20,22H,6,8,12-16H2.
What are the key properties of 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol?
2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol has a molecular weight of 343.49 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 2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol is sourced from PubChem (CID 111333651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).