ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide

C8H19NO2S — CID 143941468

IUPACethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide
SMILESCC.CC(C)C1COS(=O)N1C
InChIInChI=1S/C6H13NO2S.C2H6/c1-5(2)6-4-9-10(8)7(6)3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyCPBBQIOYUSOEAN-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.58
Rot. Bonds1

About ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide

ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide (PubChem CID 143941468) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide.

Molecular Properties

Compound Nameethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide
PubChem CID143941468
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Nameethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide
SMILESCC.CC(C)C1COS(=O)N1C
InChIInChI=1S/C6H13NO2S.C2H6/c1-5(2)6-4-9-10(8)7(6)3;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyCPBBQIOYUSOEAN-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide?
The IUPAC name of ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide (CID 143941468) is ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide.
What is the SMILES notation for ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide?
The canonical SMILES for ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide is CC.CC(C)C1COS(=O)N1C.
What is the InChIKey of ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide?
The InChIKey is CPBBQIOYUSOEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.C2H6/c1-5(2)6-4-9-10(8)7(6)3;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide?
ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide has a molecular weight of 193.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-propan-2-yloxathiazolidine 2-oxide is sourced from PubChem (CID 143941468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).