2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol

C13H19NO2S — CID 111102009

IUPAC2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol
SMILESO=S(CCN(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C13H19NO2S/c15-10-8-14(12-6-7-12)9-11-17(16)13-4-2-1-3-5-13/h1-5,12,15H,6-11H2
InChIKeyPSGSNNGTZZYNCX-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.25
Rot. Bonds7

About 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol

2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol (PubChem CID 111102009) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol
PubChem CID111102009
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol
SMILESO=S(CCN(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C13H19NO2S/c15-10-8-14(12-6-7-12)9-11-17(16)13-4-2-1-3-5-13/h1-5,12,15H,6-11H2
InChIKeyPSGSNNGTZZYNCX-UHFFFAOYSA-N
XLogP1.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333651
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 54994962
1-[cyclopropyl(2-hydroxyethyl)amino]-2-phenylpropan-2-ol
CID 62373661
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 55099387
2-[cyclopropyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 55147193
4-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62030910
2-[cyclopropyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 62031099
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
2-(benzenesulfinyl)-1-cyclopropylethanone
CID 64637996
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 110899428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol (CID 111102009) is 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol is O=S(CCN(CCO)C1CC1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol?
The InChIKey is PSGSNNGTZZYNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-10-8-14(12-6-7-12)9-11-17(16)13-4-2-1-3-5-13/h1-5,12,15H,6-11H2.
What are the key properties of 2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol?
2-[2-(benzenesulfinyl)ethyl-cyclopropylamino]ethanol has a molecular weight of 253.37 g/mol, XLogP of 1.25, 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-cyclopropylamino]ethanol is sourced from PubChem (CID 111102009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).