3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide

C8H17NO3S — CID 58034041

IUPAC3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide
SMILESCC(C)C1COS(=O)(=O)N1C(C)C
InChIInChI=1S/C8H17NO3S/c1-6(2)8-5-12-13(10,11)9(8)7(3)4/h6-8H,5H2,1-4H3
InChIKeyZKPUPLIDENTTAJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.00
Rot. Bonds2

About 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide

3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide (PubChem CID 58034041) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide
PubChem CID58034041
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide
SMILESCC(C)C1COS(=O)(=O)N1C(C)C
InChIInChI=1S/C8H17NO3S/c1-6(2)8-5-12-13(10,11)9(8)7(3)4/h6-8H,5H2,1-4H3
InChIKeyZKPUPLIDENTTAJ-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide?
The IUPAC name of 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide (CID 58034041) is 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide.
What is the SMILES notation for 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide?
The canonical SMILES for 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide is CC(C)C1COS(=O)(=O)N1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide?
The InChIKey is ZKPUPLIDENTTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6(2)8-5-12-13(10,11)9(8)7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide?
3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide has a molecular weight of 207.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)oxathiazolidine 2,2-dioxide is sourced from PubChem (CID 58034041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).