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

C12H24N2O2S2 — CID 3009814

IUPAC4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine
SMILESCC1CN(SSN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C12H24N2O2S2/c1-9-5-13(6-10(2)15-9)17-18-14-7-11(3)16-12(4)8-14/h9-12H,5-8H2,1-4H3
InChIKeyHKFSGPJTXXTDTB-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.42
Rot. Bonds3

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

4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine (PubChem CID 3009814) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine
PubChem CID3009814
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine
SMILESCC1CN(SSN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C12H24N2O2S2/c1-9-5-13(6-10(2)15-9)17-18-14-7-11(3)16-12(4)8-14/h9-12H,5-8H2,1-4H3
InChIKeyHKFSGPJTXXTDTB-UHFFFAOYSA-N
XLogP2.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)disulfanyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine (CID 3009814) is 4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine is CC1CN(SSN2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine?
The InChIKey is HKFSGPJTXXTDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-9-5-13(6-10(2)15-9)17-18-14-7-11(3)16-12(4)8-14/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine?
4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine has a molecular weight of 292.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)disulfanyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 3009814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).