tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate

C10H19NO6S — CID 87699008

IUPACtert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate
SMILESCC(C)(C)OC(=O)ON1C(C)(C)CCOS1(=O)=O
InChIInChI=1S/C10H19NO6S/c1-9(2,3)16-8(12)17-11-10(4,5)6-7-15-18(11,13)14/h6-7H2,1-5H3
InChIKeyIMBADIDHSLUECF-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.60
Rot. Bonds1

About tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate

tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate (PubChem CID 87699008) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate
PubChem CID87699008
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Nametert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate
SMILESCC(C)(C)OC(=O)ON1C(C)(C)CCOS1(=O)=O
InChIInChI=1S/C10H19NO6S/c1-9(2,3)16-8(12)17-11-10(4,5)6-7-15-18(11,13)14/h6-7H2,1-5H3
InChIKeyIMBADIDHSLUECF-UHFFFAOYSA-N
XLogP1.60
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 5,5-dioxo-6-oxa-5λ6-thia-4-azaspiro[2.4]heptane-4-carboxylate
CID 122604195
tert-butyl 4,4-dimethyl-2-oxooxathiazinane-3-carboxylate;hydrate
CID 143448137
tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl carboxy carbonate;1,4-dioxane
CID 158983783
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl (4R)-4-methyl-2,2-dioxo-4-phenyloxathiazolidine-3-carboxylate
CID 171592514
tert-butyl (2S)-2-amino-3-(2-methyl-1,3-dioxan-2-yl)propanoate
CID 101192503
(2S)-5-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 118856356
tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
CID 66630657
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate?
The IUPAC name of tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate (CID 87699008) is tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate.
What is the SMILES notation for tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate?
The canonical SMILES for tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate is CC(C)(C)OC(=O)ON1C(C)(C)CCOS1(=O)=O.
What is the InChIKey of tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate?
The InChIKey is IMBADIDHSLUECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-9(2,3)16-8(12)17-11-10(4,5)6-7-15-18(11,13)14/h6-7H2,1-5H3.
What are the key properties of tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate?
tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate has a molecular weight of 281.33 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4,4-dimethyl-2,2-dioxooxathiazinan-3-yl) carbonate is sourced from PubChem (CID 87699008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).