4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide

C8H17NO3S — CID 76784597

IUPAC4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide
SMILESCN1C(C)(C(C)(C)C)COS1(=O)=O
InChIInChI=1S/C8H17NO3S/c1-7(2,3)8(4)6-12-13(10,11)9(8)5/h6H2,1-5H3
InChIKeyZSKJMTMDEZYGNS-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.00
Rot. Bonds

About 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide

4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide (PubChem CID 76784597) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide
PubChem CID76784597
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide
SMILESCN1C(C)(C(C)(C)C)COS1(=O)=O
InChIInChI=1S/C8H17NO3S/c1-7(2,3)8(4)6-12-13(10,11)9(8)5/h6H2,1-5H3
InChIKeyZSKJMTMDEZYGNS-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide?
The IUPAC name of 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide (CID 76784597) is 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide.
What is the SMILES notation for 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide?
The canonical SMILES for 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide is CN1C(C)(C(C)(C)C)COS1(=O)=O.
What is the InChIKey of 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide?
The InChIKey is ZSKJMTMDEZYGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2,3)8(4)6-12-13(10,11)9(8)5/h6H2,1-5H3.
What are the key properties of 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide?
4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide has a molecular weight of 207.29 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,4-dimethyloxathiazolidine 2,2-dioxide is sourced from PubChem (CID 76784597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).