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

C6H13NOS — CID 59794349

IUPAC2-propan-2-yl-1,2-thiazolidine 1-oxide
SMILESCC(C)N1CCCS1=O
InChIInChI=1S/C6H13NOS/c1-6(2)7-4-3-5-9(7)8/h6H,3-5H2,1-2H3
InChIKeyDJNUNVINWWFZNY-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.76
Rot. Bonds1

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

2-propan-2-yl-1,2-thiazolidine 1-oxide (PubChem CID 59794349) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-propan-2-yl-1,2-thiazolidine 1-oxide.

Molecular Properties

Compound Name2-propan-2-yl-1,2-thiazolidine 1-oxide
PubChem CID59794349
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-propan-2-yl-1,2-thiazolidine 1-oxide
SMILESCC(C)N1CCCS1=O
InChIInChI=1S/C6H13NOS/c1-6(2)7-4-3-5-9(7)8/h6H,3-5H2,1-2H3
InChIKeyDJNUNVINWWFZNY-UHFFFAOYSA-N
XLogP0.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2-thiazolidine 1-oxide?
The IUPAC name of 2-propan-2-yl-1,2-thiazolidine 1-oxide (CID 59794349) is 2-propan-2-yl-1,2-thiazolidine 1-oxide.
What is the SMILES notation for 2-propan-2-yl-1,2-thiazolidine 1-oxide?
The canonical SMILES for 2-propan-2-yl-1,2-thiazolidine 1-oxide is CC(C)N1CCCS1=O.
What is the InChIKey of 2-propan-2-yl-1,2-thiazolidine 1-oxide?
The InChIKey is DJNUNVINWWFZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-6(2)7-4-3-5-9(7)8/h6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2-thiazolidine 1-oxide?
2-propan-2-yl-1,2-thiazolidine 1-oxide has a molecular weight of 147.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 59794349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).