3-propan-2-yloxathiazolidine 2-oxide

C5H11NO2S — CID 146267337

IUPAC3-propan-2-yloxathiazolidine 2-oxide
SMILESCC(C)N1CCOS1=O
InChIInChI=1S/C5H11NO2S/c1-5(2)6-3-4-8-9(6)7/h5H,3-4H2,1-2H3
InChIKeyKQRQMEIQOQLZGB-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.31
Rot. Bonds1

About 3-propan-2-yloxathiazolidine 2-oxide

3-propan-2-yloxathiazolidine 2-oxide (PubChem CID 146267337) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-propan-2-yloxathiazolidine 2-oxide.

Molecular Properties

Compound Name3-propan-2-yloxathiazolidine 2-oxide
PubChem CID146267337
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name3-propan-2-yloxathiazolidine 2-oxide
SMILESCC(C)N1CCOS1=O
InChIInChI=1S/C5H11NO2S/c1-5(2)6-3-4-8-9(6)7/h5H,3-4H2,1-2H3
InChIKeyKQRQMEIQOQLZGB-UHFFFAOYSA-N
XLogP0.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxathiazolidine 2-oxide?
The IUPAC name of 3-propan-2-yloxathiazolidine 2-oxide (CID 146267337) is 3-propan-2-yloxathiazolidine 2-oxide.
What is the SMILES notation for 3-propan-2-yloxathiazolidine 2-oxide?
The canonical SMILES for 3-propan-2-yloxathiazolidine 2-oxide is CC(C)N1CCOS1=O.
What is the InChIKey of 3-propan-2-yloxathiazolidine 2-oxide?
The InChIKey is KQRQMEIQOQLZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(2)6-3-4-8-9(6)7/h5H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yloxathiazolidine 2-oxide?
3-propan-2-yloxathiazolidine 2-oxide has a molecular weight of 149.22 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxathiazolidine 2-oxide is sourced from PubChem (CID 146267337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).