4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium

C8H14NS+ — CID 89047071

IUPAC4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium
SMILESC=C1SCC[N+](C)(C)C1=C
InChIInChI=1S/C8H14NS/c1-7-8(2)10-6-5-9(7,3)4/h1-2,5-6H2,3-4H3/q+1
InChIKeyMQOLHZWJQOYSTL-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.84
Rot. Bonds

About 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium

4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium (PubChem CID 89047071) has the molecular formula C8H14NS+ and a molecular weight of 156.27 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium.

Molecular Properties

Compound Name4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium
PubChem CID89047071
Molecular FormulaC8H14NS+
Molecular Weight156.27 g/mol
Exact Mass156.08
IUPAC Name4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium
SMILESC=C1SCC[N+](C)(C)C1=C
InChIInChI=1S/C8H14NS/c1-7-8(2)10-6-5-9(7,3)4/h1-2,5-6H2,3-4H3/q+1
InChIKeyMQOLHZWJQOYSTL-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium?
The IUPAC name of 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium (CID 89047071) is 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium.
What is the SMILES notation for 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium?
The canonical SMILES for 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium is C=C1SCC[N+](C)(C)C1=C.
What is the InChIKey of 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium?
The InChIKey is MQOLHZWJQOYSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NS/c1-7-8(2)10-6-5-9(7,3)4/h1-2,5-6H2,3-4H3/q+1.
What are the key properties of 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium?
4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium has a molecular weight of 156.27 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-dimethylidenethiomorpholin-4-ium is sourced from PubChem (CID 89047071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).