tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate

C11H21NO5S — CID 135074460

IUPACtert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate
SMILESCC[C@@H](C)C1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5S/c1-6-8(2)9-7-16-18(14,15)12(9)10(13)17-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9?/m1/s1
InChIKeyNKCHQSLMZGURIG-VEDVMXKPSA-N
MW279.36 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate

tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate (PubChem CID 135074460) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate
PubChem CID135074460
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nametert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate
SMILESCC[C@@H](C)C1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5S/c1-6-8(2)9-7-16-18(14,15)12(9)10(13)17-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9?/m1/s1
InChIKeyNKCHQSLMZGURIG-VEDVMXKPSA-N
XLogP1.91
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 170585072
tert-butyl 2,2-dioxo-4-[1-[4-(trifluoromethyl)phenyl]propyl]oxathiazolidine-3-carboxylate
CID 91407034
tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate
CID 170585062
tert-butyl (3S)-3-butan-2-yl-5-oxomorpholine-4-carboxylate
CID 15235156
tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate
CID 70269516
tert-butyl 2,2-dihydroxy-4-(methoxymethyl)oxathiazolidine-3-carboxylate
CID 170585109
tert-butyl (4S)-4-[(3-chlorophenyl)methyl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 87254310
tert-butyl 2-benzyl-5-butan-2-yl-3-oxomorpholine-4-carboxylate
CID 67716572
tert-butyl (4R)-2,2-dioxo-4-[(4-phenylmethoxycyclohexyl)oxymethyl]oxathiazolidine-3-carboxylate
CID 134357616
tert-butyl 2,2-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]oxathiazolidine-3-carboxylate
CID 87254282
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
tert-butyl (4S)-4-(3,4-difluorophenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 125498249

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate (CID 135074460) is tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate is CC[C@@H](C)C1COS(=O)(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate?
The InChIKey is NKCHQSLMZGURIG-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-6-8(2)9-7-16-18(14,15)12(9)10(13)17-11(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9?/m1/s1.
What are the key properties of tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate?
tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate is sourced from PubChem (CID 135074460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).