3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide

C7H15NO2S — CID 76784631

IUPAC3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide
SMILESCC(C)C1(C)COS(=O)N1C
InChIInChI=1S/C7H15NO2S/c1-6(2)7(3)5-10-11(9)8(7)4/h6H,5H2,1-4H3
InChIKeyKVJQKQJFSMRDCS-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.94
Rot. Bonds1

About 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide

3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide (PubChem CID 76784631) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide.

Molecular Properties

Compound Name3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide
PubChem CID76784631
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide
SMILESCC(C)C1(C)COS(=O)N1C
InChIInChI=1S/C7H15NO2S/c1-6(2)7(3)5-10-11(9)8(7)4/h6H,5H2,1-4H3
InChIKeyKVJQKQJFSMRDCS-UHFFFAOYSA-N
XLogP0.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide?
The IUPAC name of 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide (CID 76784631) is 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide.
What is the SMILES notation for 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide?
The canonical SMILES for 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide is CC(C)C1(C)COS(=O)N1C.
What is the InChIKey of 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide?
The InChIKey is KVJQKQJFSMRDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-6(2)7(3)5-10-11(9)8(7)4/h6H,5H2,1-4H3.
What are the key properties of 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide?
3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide has a molecular weight of 177.27 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4-propan-2-yloxathiazolidine 2-oxide is sourced from PubChem (CID 76784631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).