1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine

C11H24N2O2S2 — CID 66377767

IUPAC1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(C)(C)NC
InChIInChI=1S/C11H24N2O2S2/c1-5-17(14,15)10-8-16-7-6-13(10)9-11(2,3)12-4/h10,12H,5-9H2,1-4H3
InChIKeyBPXGMWGXIPAYKF-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.79
Rot. Bonds5

About 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine

1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine (PubChem CID 66377767) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
PubChem CID66377767
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
SMILESCCS(=O)(=O)C1CSCCN1CC(C)(C)NC
InChIInChI=1S/C11H24N2O2S2/c1-5-17(14,15)10-8-16-7-6-13(10)9-11(2,3)12-4/h10,12H,5-9H2,1-4H3
InChIKeyBPXGMWGXIPAYKF-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine (CID 66377767) is 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine is CCS(=O)(=O)C1CSCCN1CC(C)(C)NC.
What is the InChIKey of 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine?
The InChIKey is BPXGMWGXIPAYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-5-17(14,15)10-8-16-7-6-13(10)9-11(2,3)12-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine?
1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 66377767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).