(4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide

C16H17NO3S — CID 11312727

IUPAC(4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide
SMILESO=S1(=O)OC[C@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-21(19)17(12-15-9-5-2-6-10-15)16(13-20-21)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyQPRNLBKAYQRZFN-INIZCTEOSA-N
MW303.38 g/mol
LogP2.37
Rot. Bonds4

About (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide

(4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide (PubChem CID 11312727) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide
PubChem CID11312727
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide
SMILESO=S1(=O)OC[C@H](Cc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C16H17NO3S/c18-21(19)17(12-15-9-5-2-6-10-15)16(13-20-21)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyQPRNLBKAYQRZFN-INIZCTEOSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzyl-4-phenyloxathiazinane 2,2-dioxide
CID 24761763
(2R)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol
CID 42628450
(6S)-5,6-dibenzyl-1,4,5-oxathiazepane 4,4-dioxide
CID 24747621
3-Methyl-4-phenyloxathiazinane 2,2-dioxide
CID 24761703
(2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol
CID 42628444
(2S)-2-[benzyl-[benzyl-[(2S)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol
CID 42628454
3-Benzyloxathiazolidine 2,2-dioxide
CID 73977818
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
(3S,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
3-Benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide
CID 11065013

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide?
The IUPAC name of (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide (CID 11312727) is (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide?
The canonical SMILES for (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide is O=S1(=O)OC[C@H](Cc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide?
The InChIKey is QPRNLBKAYQRZFN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-21(19)17(12-15-9-5-2-6-10-15)16(13-20-21)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1.
What are the key properties of (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide?
(4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide has a molecular weight of 303.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 11312727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).