2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine

C9H18N2S — CID 70523395

IUPAC2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine
SMILESC=CCC1CN(CCN)CCS1
InChIInChI=1S/C9H18N2S/c1-2-3-9-8-11(5-4-10)6-7-12-9/h2,9H,1,3-8,10H2
InChIKeyPJKCDJMTKHFGDT-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.94
Rot. Bonds4

About 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine

2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine (PubChem CID 70523395) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine
PubChem CID70523395
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine
SMILESC=CCC1CN(CCN)CCS1
InChIInChI=1S/C9H18N2S/c1-2-3-9-8-11(5-4-10)6-7-12-9/h2,9H,1,3-8,10H2
InChIKeyPJKCDJMTKHFGDT-UHFFFAOYSA-N
XLogP0.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine (CID 70523395) is 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine is C=CCC1CN(CCN)CCS1.
What is the InChIKey of 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine?
The InChIKey is PJKCDJMTKHFGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-3-9-8-11(5-4-10)6-7-12-9/h2,9H,1,3-8,10H2.
What are the key properties of 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine?
2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine has a molecular weight of 186.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 70523395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).