4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine

C12H24N2O2S3 — CID 14710482

IUPAC4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine
SMILESCC1CN(SSSN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C12H24N2O2S3/c1-9-5-13(6-10(2)15-9)17-19-18-14-7-11(3)16-12(4)8-14/h9-12H,5-8H2,1-4H3
InChIKeyFNIYWTPQOMDKRZ-UHFFFAOYSA-N
MW324.54 g/mol
LogP3.06
Rot. Bonds4

About 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine

4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine (PubChem CID 14710482) has the molecular formula C12H24N2O2S3 and a molecular weight of 324.54 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine
PubChem CID14710482
Molecular FormulaC12H24N2O2S3
Molecular Weight324.54 g/mol
Exact Mass324.10
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine
SMILESCC1CN(SSSN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C12H24N2O2S3/c1-9-5-13(6-10(2)15-9)17-19-18-14-7-11(3)16-12(4)8-14/h9-12H,5-8H2,1-4H3
InChIKeyFNIYWTPQOMDKRZ-UHFFFAOYSA-N
XLogP3.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine (CID 14710482) is 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine is CC1CN(SSSN2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine?
The InChIKey is FNIYWTPQOMDKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S3/c1-9-5-13(6-10(2)15-9)17-19-18-14-7-11(3)16-12(4)8-14/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine?
4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine has a molecular weight of 324.54 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)trisulfanyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 14710482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).