1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

C12H27NO3S — CID 59409533

IUPAC1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCCN(CC)S(=O)OCC(C)(C)OC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-8-13(9-2)17(14)15-10-12(6,7)16-11(3,4)5/h8-10H2,1-7H3
InChIKeyZUAZTBXMNVXDFE-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.52
Rot. Bonds7

About 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 59409533) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID59409533
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCCN(CC)S(=O)OCC(C)(C)OC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-8-13(9-2)17(14)15-10-12(6,7)16-11(3,4)5/h8-10H2,1-7H3
InChIKeyZUAZTBXMNVXDFE-UHFFFAOYSA-N
XLogP2.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-2-[(2-methylpropan-2-yl)oxy]propyl] methanesulfonate
CID 89330129
2,2-dimethylpropyl ethanesulfinate
CID 71393635
(2-azaniumyl-2-methylpropyl) sulfite
CID 3776556
1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 118260029
tert-butyl 2-[ethyl-(1-hydroxy-3-methylbutan-2-yl)amino]acetate
CID 87652560
1,1-dichloro-3-methyl-3-[(2-methylpropan-2-yl)oxy]butane
CID 141078640
tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
CID 86714540
2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide
CID 144786289
copper;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 90105621
[ethyl(hydroxysulfinothioyl)amino]ethane
CID 87078499
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
CID 174934900
N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 87508990

Frequently Asked Questions

What is the IUPAC name of 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 59409533) is 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CCN(CC)S(=O)OCC(C)(C)OC(C)(C)C.
What is the InChIKey of 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is ZUAZTBXMNVXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-8-13(9-2)17(14)15-10-12(6,7)16-11(3,4)5/h8-10H2,1-7H3.
What are the key properties of 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 265.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylsulfinamoyloxy-2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 59409533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).