3-ethyl-2-methyl-4-prop-2-enylthiomorpholine

C10H19NS — CID 12517921

IUPAC3-ethyl-2-methyl-4-prop-2-enylthiomorpholine
SMILESC=CCN1CCSC(C)C1CC
InChIInChI=1S/C10H19NS/c1-4-6-11-7-8-12-9(3)10(11)5-2/h4,9-10H,1,5-8H2,2-3H3
InChIKeyXKWMXQKJOPCMCK-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.39
Rot. Bonds3

About 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine

3-ethyl-2-methyl-4-prop-2-enylthiomorpholine (PubChem CID 12517921) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-prop-2-enylthiomorpholine
PubChem CID12517921
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-ethyl-2-methyl-4-prop-2-enylthiomorpholine
SMILESC=CCN1CCSC(C)C1CC
InChIInChI=1S/C10H19NS/c1-4-6-11-7-8-12-9(3)10(11)5-2/h4,9-10H,1,5-8H2,2-3H3
InChIKeyXKWMXQKJOPCMCK-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine?
The IUPAC name of 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine (CID 12517921) is 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine.
What is the SMILES notation for 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine?
The canonical SMILES for 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine is C=CCN1CCSC(C)C1CC.
What is the InChIKey of 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine?
The InChIKey is XKWMXQKJOPCMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-6-11-7-8-12-9(3)10(11)5-2/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine?
3-ethyl-2-methyl-4-prop-2-enylthiomorpholine has a molecular weight of 185.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-prop-2-enylthiomorpholine is sourced from PubChem (CID 12517921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).