2-propan-2-yl-1,3-thiazolidine 1-oxide

C6H13NOS — CID 59396113

IUPAC2-propan-2-yl-1,3-thiazolidine 1-oxide
SMILESCC(C)C1NCCS1=O
InChIInChI=1S/C6H13NOS/c1-5(2)6-7-3-4-9(6)8/h5-7H,3-4H2,1-2H3
InChIKeyALPVLFUAKLWJME-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.32
Rot. Bonds1

About 2-propan-2-yl-1,3-thiazolidine 1-oxide

2-propan-2-yl-1,3-thiazolidine 1-oxide (PubChem CID 59396113) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name2-propan-2-yl-1,3-thiazolidine 1-oxide
PubChem CID59396113
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-propan-2-yl-1,3-thiazolidine 1-oxide
SMILESCC(C)C1NCCS1=O
InChIInChI=1S/C6H13NOS/c1-5(2)6-7-3-4-9(6)8/h5-7H,3-4H2,1-2H3
InChIKeyALPVLFUAKLWJME-UHFFFAOYSA-N
XLogP0.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-thiazolidine 1-oxide?
The IUPAC name of 2-propan-2-yl-1,3-thiazolidine 1-oxide (CID 59396113) is 2-propan-2-yl-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 2-propan-2-yl-1,3-thiazolidine 1-oxide?
The canonical SMILES for 2-propan-2-yl-1,3-thiazolidine 1-oxide is CC(C)C1NCCS1=O.
What is the InChIKey of 2-propan-2-yl-1,3-thiazolidine 1-oxide?
The InChIKey is ALPVLFUAKLWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(2)6-7-3-4-9(6)8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-thiazolidine 1-oxide?
2-propan-2-yl-1,3-thiazolidine 1-oxide has a molecular weight of 147.24 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 59396113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).