3-ethenyl-4-methylthiomorpholine

C7H13NS — CID 144959047

IUPAC3-ethenyl-4-methylthiomorpholine
SMILESC=CC1CSCCN1C
InChIInChI=1S/C7H13NS/c1-3-7-6-9-5-4-8(7)2/h3,7H,1,4-6H2,2H3
InChIKeyCWOHPLBYTCVBFX-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.22
Rot. Bonds1

About 3-ethenyl-4-methylthiomorpholine

3-ethenyl-4-methylthiomorpholine (PubChem CID 144959047) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-ethenyl-4-methylthiomorpholine.

Molecular Properties

Compound Name3-ethenyl-4-methylthiomorpholine
PubChem CID144959047
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-ethenyl-4-methylthiomorpholine
SMILESC=CC1CSCCN1C
InChIInChI=1S/C7H13NS/c1-3-7-6-9-5-4-8(7)2/h3,7H,1,4-6H2,2H3
InChIKeyCWOHPLBYTCVBFX-UHFFFAOYSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Propen-1-yl)thiomorpholine
CID 12517935
N,N-dimethyl-2,3-dihydrothiophen-3-amine
CID 150666847
2-Ethenyl-4-methylthiomorpholine
CID 153547696
(2R)-2-ethenyl-4-methylthiomorpholine
CID 168261126
(2R)-N,N-dimethyl-1-methylsulfanylbut-3-en-2-amine
CID 169637886
4-prop-2-enyl-(613C)1,4-thiazinane
CID 173169396
N,N-diethyl-2,3-dihydrothiophen-3-amine
CID 175249788
3-Ethyl-2-methyl-4-prop-2-enylthiomorpholine
CID 12517921
4-But-3-en-2-ylthiomorpholine
CID 126991947
3-Methyl-4-prop-2-enylthiomorpholine
CID 127341335
4-But-3-en-2-yl-2-propan-2-ylthiomorpholine
CID 130651998
4-But-3-en-2-yl-2-ethylthiomorpholine
CID 130944351

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methylthiomorpholine?
The IUPAC name of 3-ethenyl-4-methylthiomorpholine (CID 144959047) is 3-ethenyl-4-methylthiomorpholine.
What is the SMILES notation for 3-ethenyl-4-methylthiomorpholine?
The canonical SMILES for 3-ethenyl-4-methylthiomorpholine is C=CC1CSCCN1C.
What is the InChIKey of 3-ethenyl-4-methylthiomorpholine?
The InChIKey is CWOHPLBYTCVBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-7-6-9-5-4-8(7)2/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-ethenyl-4-methylthiomorpholine?
3-ethenyl-4-methylthiomorpholine has a molecular weight of 143.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methylthiomorpholine is sourced from PubChem (CID 144959047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).