4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one

C6H11NO3S — CID 13245535

IUPAC4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one
SMILESO=C1CS(=O)CCN1CCO
InChIInChI=1S/C6H11NO3S/c8-3-1-7-2-4-11(10)5-6(7)9/h8H,1-5H2
InChIKeyQDUYFYRIFSTERZ-UHFFFAOYSA-N
MW177.22 g/mol
LogP-1.43
Rot. Bonds2

About 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one

4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one (PubChem CID 13245535) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one
PubChem CID13245535
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one
SMILESO=C1CS(=O)CCN1CCO
InChIInChI=1S/C6H11NO3S/c8-3-1-7-2-4-11(10)5-6(7)9/h8H,1-5H2
InChIKeyQDUYFYRIFSTERZ-UHFFFAOYSA-N
XLogP-1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one (CID 13245535) is 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one is O=C1CS(=O)CCN1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one?
The InChIKey is QDUYFYRIFSTERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c8-3-1-7-2-4-11(10)5-6(7)9/h8H,1-5H2.
What are the key properties of 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one?
4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one has a molecular weight of 177.22 g/mol, XLogP of -1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-oxo-1,4-thiazinan-3-one is sourced from PubChem (CID 13245535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).