3-ethyl-1,3-thiazinan-2-one

C6H11NOS — CID 13352374

IUPAC3-ethyl-1,3-thiazinan-2-one
SMILESCCN1CCCSC1=O
InChIInChI=1S/C6H11NOS/c1-2-7-4-3-5-9-6(7)8/h2-5H2,1H3
InChIKeyDEEYZAJRTZAZPQ-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.57
Rot. Bonds1

About 3-ethyl-1,3-thiazinan-2-one

3-ethyl-1,3-thiazinan-2-one (PubChem CID 13352374) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 3-ethyl-1,3-thiazinan-2-one.

Molecular Properties

Compound Name3-ethyl-1,3-thiazinan-2-one
PubChem CID13352374
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name3-ethyl-1,3-thiazinan-2-one
SMILESCCN1CCCSC1=O
InChIInChI=1S/C6H11NOS/c1-2-7-4-3-5-9-6(7)8/h2-5H2,1H3
InChIKeyDEEYZAJRTZAZPQ-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-thiazinan-2-one?
The IUPAC name of 3-ethyl-1,3-thiazinan-2-one (CID 13352374) is 3-ethyl-1,3-thiazinan-2-one.
What is the SMILES notation for 3-ethyl-1,3-thiazinan-2-one?
The canonical SMILES for 3-ethyl-1,3-thiazinan-2-one is CCN1CCCSC1=O.
What is the InChIKey of 3-ethyl-1,3-thiazinan-2-one?
The InChIKey is DEEYZAJRTZAZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-7-4-3-5-9-6(7)8/h2-5H2,1H3.
What are the key properties of 3-ethyl-1,3-thiazinan-2-one?
3-ethyl-1,3-thiazinan-2-one has a molecular weight of 145.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-thiazinan-2-one is sourced from PubChem (CID 13352374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).