tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate

C8H15NO3S — CID 66982661

IUPACtert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate
SMILESC[C@@H]1COSN1C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO3S/c1-6-5-11-13-9(6)7(10)12-8(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyVJLADRMQGXIGKR-ZCFIWIBFSA-N
MW205.28 g/mol
LogP2.21
Rot. Bonds

About tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate

tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate (PubChem CID 66982661) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate
PubChem CID66982661
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Nametert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate
SMILESC[C@@H]1COSN1C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO3S/c1-6-5-11-13-9(6)7(10)12-8(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyVJLADRMQGXIGKR-ZCFIWIBFSA-N
XLogP2.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4R)-4-benzyloxathiazolidine-3-carboxylate
CID 153378685
ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
tert-butyl (3R,5R)-3-hydroxy-5-methyl-2-oxopyrrolidine-1-carboxylate
CID 10976837
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
tert-butyl (6S)-6-methyloxathiazinane-3-carboxylate
CID 123510629
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl 4-ethyl-2-oxooxathiazolidine-3-carboxylate
CID 123671599
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
ditert-butyl 3-methyldiazetidine-1,2-dicarboxylate
CID 102456456
tert-butyl 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate
CID 116685532

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate (CID 66982661) is tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate is C[C@@H]1COSN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate?
The InChIKey is VJLADRMQGXIGKR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6-5-11-13-9(6)7(10)12-8(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate?
tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate has a molecular weight of 205.28 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-methyloxathiazolidine-3-carboxylate is sourced from PubChem (CID 66982661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).