2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine

C12H26N2O2S — CID 66269197

IUPAC2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine
SMILESCOC(CC(CN)N1CC(C)SC(C)C1)OC
InChIInChI=1S/C12H26N2O2S/c1-9-7-14(8-10(2)17-9)11(6-13)5-12(15-3)16-4/h9-12H,5-8,13H2,1-4H3
InChIKeyVXLWCBGZEOMQFS-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.15
Rot. Bonds6

About 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine

2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine (PubChem CID 66269197) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine
PubChem CID66269197
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine
SMILESCOC(CC(CN)N1CC(C)SC(C)C1)OC
InChIInChI=1S/C12H26N2O2S/c1-9-7-14(8-10(2)17-9)11(6-13)5-12(15-3)16-4/h9-12H,5-8,13H2,1-4H3
InChIKeyVXLWCBGZEOMQFS-UHFFFAOYSA-N
XLogP1.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine?
The IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine (CID 66269197) is 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine.
What is the SMILES notation for 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine?
The canonical SMILES for 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine is COC(CC(CN)N1CC(C)SC(C)C1)OC.
What is the InChIKey of 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine?
The InChIKey is VXLWCBGZEOMQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-9-7-14(8-10(2)17-9)11(6-13)5-12(15-3)16-4/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine?
2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine is sourced from PubChem (CID 66269197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).