(6,6-dimethylmorpholin-3-yl)-methylidenesulfanium

C7H14NOS+ — CID 153278901

IUPAC(6,6-dimethylmorpholin-3-yl)-methylidenesulfanium
SMILESC=[S+]C1COC(C)(C)CN1
InChIInChI=1S/C7H14NOS/c1-7(2)5-8-6(10-3)4-9-7/h6,8H,3-5H2,1-2H3/q+1
InChIKeyOUMHQULVHDMDLI-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.23
Rot. Bonds1

About (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium

(6,6-dimethylmorpholin-3-yl)-methylidenesulfanium (PubChem CID 153278901) has the molecular formula C7H14NOS+ and a molecular weight of 160.26 g/mol. Its IUPAC name is (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium.

Molecular Properties

Compound Name(6,6-dimethylmorpholin-3-yl)-methylidenesulfanium
PubChem CID153278901
Molecular FormulaC7H14NOS+
Molecular Weight160.26 g/mol
Exact Mass160.08
IUPAC Name(6,6-dimethylmorpholin-3-yl)-methylidenesulfanium
SMILESC=[S+]C1COC(C)(C)CN1
InChIInChI=1S/C7H14NOS/c1-7(2)5-8-6(10-3)4-9-7/h6,8H,3-5H2,1-2H3/q+1
InChIKeyOUMHQULVHDMDLI-UHFFFAOYSA-N
XLogP0.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium?
The IUPAC name of (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium (CID 153278901) is (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium.
What is the SMILES notation for (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium?
The canonical SMILES for (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium is C=[S+]C1COC(C)(C)CN1.
What is the InChIKey of (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium?
The InChIKey is OUMHQULVHDMDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NOS/c1-7(2)5-8-6(10-3)4-9-7/h6,8H,3-5H2,1-2H3/q+1.
What are the key properties of (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium?
(6,6-dimethylmorpholin-3-yl)-methylidenesulfanium has a molecular weight of 160.26 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethylmorpholin-3-yl)-methylidenesulfanium is sourced from PubChem (CID 153278901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).