2-prop-2-enylthiomorpholine

C7H13NS — CID 66900120

IUPAC2-prop-2-enylthiomorpholine
SMILESC=CCC1CNCCS1
InChIInChI=1S/C7H13NS/c1-2-3-7-6-8-4-5-9-7/h2,7-8H,1,3-6H2
InChIKeyQGBUXUWSIKMOJJ-UHFFFAOYSA-N
MW143.26 g/mol
LogP1.27
Rot. Bonds2

About 2-prop-2-enylthiomorpholine

2-prop-2-enylthiomorpholine (PubChem CID 66900120) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is 2-prop-2-enylthiomorpholine.

Molecular Properties

Compound Name2-prop-2-enylthiomorpholine
PubChem CID66900120
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Name2-prop-2-enylthiomorpholine
SMILESC=CCC1CNCCS1
InChIInChI=1S/C7H13NS/c1-2-3-7-6-8-4-5-9-7/h2,7-8H,1,3-6H2
InChIKeyQGBUXUWSIKMOJJ-UHFFFAOYSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
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 2-prop-2-enylthiomorpholine?
The IUPAC name of 2-prop-2-enylthiomorpholine (CID 66900120) is 2-prop-2-enylthiomorpholine.
What is the SMILES notation for 2-prop-2-enylthiomorpholine?
The canonical SMILES for 2-prop-2-enylthiomorpholine is C=CCC1CNCCS1.
What is the InChIKey of 2-prop-2-enylthiomorpholine?
The InChIKey is QGBUXUWSIKMOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-3-7-6-8-4-5-9-7/h2,7-8H,1,3-6H2.
What are the key properties of 2-prop-2-enylthiomorpholine?
2-prop-2-enylthiomorpholine has a molecular weight of 143.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylthiomorpholine is sourced from PubChem (CID 66900120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).