tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate

C11H21NO4S — CID 169102383

IUPACtert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate
SMILESCCCC[C@@H]1COS(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4S/c1-5-6-7-9-8-15-17(14)12(9)10(13)16-11(2,3)4/h9H,5-8H2,1-4H3/t9-,17?/m1/s1
InChIKeySHCDOGLDMJISER-SUSUGVNDSA-N
MW263.36 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate

tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate (PubChem CID 169102383) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate
PubChem CID169102383
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nametert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate
SMILESCCCC[C@@H]1COS(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4S/c1-5-6-7-9-8-15-17(14)12(9)10(13)16-11(2,3)4/h9H,5-8H2,1-4H3/t9-,17?/m1/s1
InChIKeySHCDOGLDMJISER-SUSUGVNDSA-N
XLogP2.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-ethyl-2-oxooxathiazolidine-3-carboxylate
CID 123671599
tert-butyl (4S)-4-(fluoromethyl)-2-oxooxathiazolidine-3-carboxylate
CID 170603940
tert-butyl 4-(methoxymethyl)-2-oxooxathiazolidine-3-carboxylate
CID 122604290
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221
tert-butyl 2-oxo-4-[[4-(trifluoromethyl)imidazol-1-yl]methyl]oxathiazolidine-3-carboxylate
CID 77293842
tert-butyl 4-[(2-bromo-4-chlorophenyl)methyl]-2-oxooxathiazolidine-3-carboxylate
CID 121247963
tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate
CID 42645909
tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate
CID 171557754
tert-butyl 4-amino-2-butylpiperidine-1-carboxylate
CID 175292956
tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
(2S,5S)-5-hexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 135016217

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate (CID 169102383) is tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate is CCCC[C@@H]1COS(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate?
The InChIKey is SHCDOGLDMJISER-SUSUGVNDSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-5-6-7-9-8-15-17(14)12(9)10(13)16-11(2,3)4/h9H,5-8H2,1-4H3/t9-,17?/m1/s1.
What are the key properties of tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate?
tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-butyl-2-oxooxathiazolidine-3-carboxylate is sourced from PubChem (CID 169102383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).