1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine

C11H21NOS — CID 115889049

IUPAC1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNC(C)C1CCOC1
InChIInChI=1S/C11H21NOS/c1-3-7-14-8-5-12-10(2)11-4-6-13-9-11/h3,10-12H,1,4-9H2,2H3
InChIKeySZUPNJLOVPGAHZ-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.92
Rot. Bonds7

About 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine

1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 115889049) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID115889049
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNC(C)C1CCOC1
InChIInChI=1S/C11H21NOS/c1-3-7-14-8-5-12-10(2)11-4-6-13-9-11/h3,10-12H,1,4-9H2,2H3
InChIKeySZUPNJLOVPGAHZ-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 115889004
3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098
1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 115708798
N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 115704238
3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115707883
N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115714064
2-(2-prop-2-enylsulfanylethylamino)propanenitrile
CID 106428124

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 115889049) is 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCSCCNC(C)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is SZUPNJLOVPGAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-7-14-8-5-12-10(2)11-4-6-13-9-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine?
1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 215.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 115889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).