3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one

C11H22N2OS — CID 81489730

IUPAC3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)CN)CC(C)S1
InChIInChI=1S/C11H22N2OS/c1-8-5-13(6-9(2)15-8)10(14)11(3,4)7-12/h8-9H,5-7,12H2,1-4H3
InChIKeyXMWXAQVNRLLPMO-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.32
Rot. Bonds2

About 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one

3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 81489730) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
PubChem CID81489730
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)CN)CC(C)S1
InChIInChI=1S/C11H22N2OS/c1-8-5-13(6-9(2)15-8)10(14)11(3,4)7-12/h8-9H,5-7,12H2,1-4H3
InChIKeyXMWXAQVNRLLPMO-UHFFFAOYSA-N
XLogP1.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one (CID 81489730) is 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one is CC1CN(C(=O)C(C)(C)CN)CC(C)S1.
What is the InChIKey of 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is XMWXAQVNRLLPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8-5-13(6-9(2)15-8)10(14)11(3,4)7-12/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one?
3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 81489730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).