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

C6H13NOS — CID 59396120

IUPAC4-propan-2-yl-1,3-thiazolidine 1-oxide
SMILESCC(C)C1CS(=O)CN1
InChIInChI=1S/C6H13NOS/c1-5(2)6-3-9(8)4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyMRNIFHSOYSKHMI-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.32
Rot. Bonds1

About 4-propan-2-yl-1,3-thiazolidine 1-oxide

4-propan-2-yl-1,3-thiazolidine 1-oxide (PubChem CID 59396120) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name4-propan-2-yl-1,3-thiazolidine 1-oxide
PubChem CID59396120
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name4-propan-2-yl-1,3-thiazolidine 1-oxide
SMILESCC(C)C1CS(=O)CN1
InChIInChI=1S/C6H13NOS/c1-5(2)6-3-9(8)4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyMRNIFHSOYSKHMI-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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Related Compounds

4-Propan-2-yl-1,3-thiazolidine
CID 23588978
4-Propan-2-yl-1,3-thiazolidine 1,1-dioxide
CID 59396110
2-Propan-2-yl-1,3-thiazolidine 1-oxide
CID 59396113
(4R)-4-propan-2-yl-1,3-thiazolidine
CID 60054984
3-(Methylsulfinylmethyl)pyrrolidine
CID 84649178
4-Methyl-1,3-thiazolidine 1-oxide
CID 89045409
4-Methyl-1,3-thiazolidine 1,1-dioxide
CID 89812445
4-Ethyl-1,3-thiazolidine 1,1-dioxide
CID 90064347
4-Propyl-1,3-thiazolidine 1-oxide
CID 123885335
4-Propan-2-yl-1,3-thiazolidin-2-ide;rhenium
CID 147415176
N,3-dimethyl-1-methylsulfinylbutan-2-amine
CID 80449250
3-(Ethylsulfinylmethyl)pyrrolidine
CID 84651295

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-thiazolidine 1-oxide?
The IUPAC name of 4-propan-2-yl-1,3-thiazolidine 1-oxide (CID 59396120) is 4-propan-2-yl-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 4-propan-2-yl-1,3-thiazolidine 1-oxide?
The canonical SMILES for 4-propan-2-yl-1,3-thiazolidine 1-oxide is CC(C)C1CS(=O)CN1.
What is the InChIKey of 4-propan-2-yl-1,3-thiazolidine 1-oxide?
The InChIKey is MRNIFHSOYSKHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(2)6-3-9(8)4-7-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-thiazolidine 1-oxide?
4-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 4-propan-2-yl-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 59396120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).