tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate

C10H19NO6S — CID 170585015

IUPACtert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate
SMILESCOCC[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO6S/c1-10(2,3)17-9(12)11-8(5-6-15-4)7-16-18(11,13)14/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyZTHPHCQHFNTNDD-QMMMGPOBSA-N
MW281.33 g/mol
LogP0.90
Rot. Bonds3

About tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate

tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate (PubChem CID 170585015) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate
PubChem CID170585015
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Nametert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate
SMILESCOCC[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO6S/c1-10(2,3)17-9(12)11-8(5-6-15-4)7-16-18(11,13)14/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyZTHPHCQHFNTNDD-QMMMGPOBSA-N
XLogP0.90
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate (CID 170585015) is tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate is COCC[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate?
The InChIKey is ZTHPHCQHFNTNDD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-10(2,3)17-9(12)11-8(5-6-15-4)7-16-18(11,13)14/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate?
tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(2-methoxyethyl)-2,2-dioxooxathiazolidine-3-carboxylate is sourced from PubChem (CID 170585015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).