4-propyl-1,3-thiazolidine 1-oxide

C6H13NOS — CID 123885335

IUPAC4-propyl-1,3-thiazolidine 1-oxide
SMILESCCCC1CS(=O)CN1
InChIInChI=1S/C6H13NOS/c1-2-3-6-4-9(8)5-7-6/h6-7H,2-5H2,1H3
InChIKeyOSHTYHJNLMJPML-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.46
Rot. Bonds2

About 4-propyl-1,3-thiazolidine 1-oxide

4-propyl-1,3-thiazolidine 1-oxide (PubChem CID 123885335) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 4-propyl-1,3-thiazolidine 1-oxide.

Molecular Properties

Compound Name4-propyl-1,3-thiazolidine 1-oxide
PubChem CID123885335
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name4-propyl-1,3-thiazolidine 1-oxide
SMILESCCCC1CS(=O)CN1
InChIInChI=1S/C6H13NOS/c1-2-3-6-4-9(8)5-7-6/h6-7H,2-5H2,1H3
InChIKeyOSHTYHJNLMJPML-UHFFFAOYSA-N
XLogP0.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,3-thiazolidine 1-oxide?
The IUPAC name of 4-propyl-1,3-thiazolidine 1-oxide (CID 123885335) is 4-propyl-1,3-thiazolidine 1-oxide.
What is the SMILES notation for 4-propyl-1,3-thiazolidine 1-oxide?
The canonical SMILES for 4-propyl-1,3-thiazolidine 1-oxide is CCCC1CS(=O)CN1.
What is the InChIKey of 4-propyl-1,3-thiazolidine 1-oxide?
The InChIKey is OSHTYHJNLMJPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-3-6-4-9(8)5-7-6/h6-7H,2-5H2,1H3.
What are the key properties of 4-propyl-1,3-thiazolidine 1-oxide?
4-propyl-1,3-thiazolidine 1-oxide has a molecular weight of 147.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,3-thiazolidine 1-oxide is sourced from PubChem (CID 123885335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).