azane;2-prop-2-enylthiomorpholine

C7H16N2S — CID 66900119

IUPACazane;2-prop-2-enylthiomorpholine
SMILESC=CCC1CNCCS1.N
InChIInChI=1S/C7H13NS.H3N/c1-2-3-7-6-8-4-5-9-7;/h2,7-8H,1,3-6H2;1H3
InChIKeyCGUVEFOOQYMUNX-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.43
Rot. Bonds2

About azane;2-prop-2-enylthiomorpholine

azane;2-prop-2-enylthiomorpholine (PubChem CID 66900119) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is azane;2-prop-2-enylthiomorpholine.

Molecular Properties

Compound Nameazane;2-prop-2-enylthiomorpholine
PubChem CID66900119
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Nameazane;2-prop-2-enylthiomorpholine
SMILESC=CCC1CNCCS1.N
InChIInChI=1S/C7H13NS.H3N/c1-2-3-7-6-8-4-5-9-7;/h2,7-8H,1,3-6H2;1H3
InChIKeyCGUVEFOOQYMUNX-UHFFFAOYSA-N
XLogP1.43
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
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 azane;2-prop-2-enylthiomorpholine?
The IUPAC name of azane;2-prop-2-enylthiomorpholine (CID 66900119) is azane;2-prop-2-enylthiomorpholine.
What is the SMILES notation for azane;2-prop-2-enylthiomorpholine?
The canonical SMILES for azane;2-prop-2-enylthiomorpholine is C=CCC1CNCCS1.N.
What is the InChIKey of azane;2-prop-2-enylthiomorpholine?
The InChIKey is CGUVEFOOQYMUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS.H3N/c1-2-3-7-6-8-4-5-9-7;/h2,7-8H,1,3-6H2;1H3.
What are the key properties of azane;2-prop-2-enylthiomorpholine?
azane;2-prop-2-enylthiomorpholine has a molecular weight of 160.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-prop-2-enylthiomorpholine is sourced from PubChem (CID 66900119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).