1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol

C11H23NO3S — CID 106427994

IUPAC1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
SMILESC=CCSCCNCC(O)COCCOC
InChIInChI=1S/C11H23NO3S/c1-3-7-16-8-4-12-9-11(13)10-15-6-5-14-2/h3,11-13H,1,4-10H2,2H3
InChIKeyOXGMSUDYOFXAHZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.52
Rot. Bonds12

About 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol

1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol (PubChem CID 106427994) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
PubChem CID106427994
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
SMILESC=CCSCCNCC(O)COCCOC
InChIInChI=1S/C11H23NO3S/c1-3-7-16-8-4-12-9-11(13)10-15-6-5-14-2/h3,11-13H,1,4-10H2,2H3
InChIKeyOXGMSUDYOFXAHZ-UHFFFAOYSA-N
XLogP0.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
CID 106427537
1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
CID 106990485
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
methyl 2,2-dimethyl-3-(2-prop-2-enylsulfanylethylamino)propanoate
CID 106427471
1-(2-prop-2-enylsulfanylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 106427604
1-(2-butoxyethoxy)-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propan-2-ol
CID 106310144
1-(4-methoxyphenyl)-2-(2-prop-2-enylsulfanylethylamino)ethanol
CID 114187570
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol (CID 106427994) is 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol is C=CCSCCNCC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol?
The InChIKey is OXGMSUDYOFXAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-7-16-8-4-12-9-11(13)10-15-6-5-14-2/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol?
1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 0.52, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol is sourced from PubChem (CID 106427994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).