benzyl 2,2-dioxooxathiazolidine-3-carboxylate

C10H11NO5S — CID 102432381

IUPACbenzyl 2,2-dioxooxathiazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOS1(=O)=O
InChIInChI=1S/C10H11NO5S/c12-10(11-6-7-16-17(11,13)14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyJJRUJESEFSYUEZ-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.90
Rot. Bonds2

About benzyl 2,2-dioxooxathiazolidine-3-carboxylate

benzyl 2,2-dioxooxathiazolidine-3-carboxylate (PubChem CID 102432381) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is benzyl 2,2-dioxooxathiazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2,2-dioxooxathiazolidine-3-carboxylate
PubChem CID102432381
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Namebenzyl 2,2-dioxooxathiazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOS1(=O)=O
InChIInChI=1S/C10H11NO5S/c12-10(11-6-7-16-17(11,13)14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyJJRUJESEFSYUEZ-UHFFFAOYSA-N
XLogP0.90
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (4S)-4-benzyl-4-methyl-2,2-dioxooxathiazolidine-3-carboxylate
CID 171749290
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(1-cyanocyclopropyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 175563990
benzyl (4S)-4,5,5-trideuterio-2,2-dioxo-4-(trifluoromethyl)oxathiazolidine-3-carboxylate
CID 168729688
benzyl (3aS,7aR)-2,2-dioxo-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyridine-5-carboxylate
CID 164860562
benzyl 2H-azete-1-carboxylate
CID 140983848
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
dibenzyl 1,7-diaza-4,10-diazoniacyclododecane-1,7-dicarboxylate dichloride
CID 172851166
benzyl (2R,6R)-2,6-bis(iodomethyl)morpholine-4-carboxylate
CID 99564646

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dioxooxathiazolidine-3-carboxylate?
The IUPAC name of benzyl 2,2-dioxooxathiazolidine-3-carboxylate (CID 102432381) is benzyl 2,2-dioxooxathiazolidine-3-carboxylate.
What is the SMILES notation for benzyl 2,2-dioxooxathiazolidine-3-carboxylate?
The canonical SMILES for benzyl 2,2-dioxooxathiazolidine-3-carboxylate is O=C(OCc1ccccc1)N1CCOS1(=O)=O.
What is the InChIKey of benzyl 2,2-dioxooxathiazolidine-3-carboxylate?
The InChIKey is JJRUJESEFSYUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c12-10(11-6-7-16-17(11,13)14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of benzyl 2,2-dioxooxathiazolidine-3-carboxylate?
benzyl 2,2-dioxooxathiazolidine-3-carboxylate has a molecular weight of 257.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-dioxooxathiazolidine-3-carboxylate is sourced from PubChem (CID 102432381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).