3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide

C12H17NO3S — CID 11065013

IUPAC3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)C1COS(=O)(=O)N1Cc1ccccc1
InChIInChI=1S/C12H17NO3S/c1-10(2)12-9-16-17(14,15)13(12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyWVBGLBDUPJXCMW-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.79
Rot. Bonds3

About 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide

3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide (PubChem CID 11065013) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide
PubChem CID11065013
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide
SMILESCC(C)C1COS(=O)(=O)N1Cc1ccccc1
InChIInChI=1S/C12H17NO3S/c1-10(2)12-9-16-17(14,15)13(12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyWVBGLBDUPJXCMW-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The IUPAC name of 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide (CID 11065013) is 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The canonical SMILES for 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide is CC(C)C1COS(=O)(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
The InChIKey is WVBGLBDUPJXCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10(2)12-9-16-17(14,15)13(12)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide?
3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide has a molecular weight of 255.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-propan-2-yloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 11065013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).