2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol

C11H17NO2S — CID 115883253

IUPAC2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccc(OC)s1
InChIInChI=1S/C11H17NO2S/c1-3-6-12(7-8-13)9-10-4-5-11(14-2)15-10/h3-5,13H,1,6-9H2,2H3
InChIKeyJSIOMHFGYXHWFR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.74
Rot. Bonds7

About 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol

2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol (PubChem CID 115883253) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol
PubChem CID115883253
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccc(OC)s1
InChIInChI=1S/C11H17NO2S/c1-3-6-12(7-8-13)9-10-4-5-11(14-2)15-10/h3-5,13H,1,6-9H2,2H3
InChIKeyJSIOMHFGYXHWFR-UHFFFAOYSA-N
XLogP1.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxyethyl-[(5-methoxythiophen-2-yl)methyl]amino]ethanol
CID 115882726
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-prop-2-enylamino]ethanol
CID 111423799
2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol
CID 115631668
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557635
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
2-[(5-chlorothiophen-2-yl)methyl-propylamino]ethanol
CID 60692382

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol (CID 115883253) is 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1ccc(OC)s1.
What is the InChIKey of 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol?
The InChIKey is JSIOMHFGYXHWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-6-12(7-8-13)9-10-4-5-11(14-2)15-10/h3-5,13H,1,6-9H2,2H3.
What are the key properties of 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol?
2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol has a molecular weight of 227.33 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxythiophen-2-yl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115883253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).