ethane;2-ethyl-1,1-dioxothiazinan-3-one

C8H17NO3S — CID 143100666

IUPACethane;2-ethyl-1,1-dioxothiazinan-3-one
SMILESCC.CCN1C(=O)CCCS1(=O)=O
InChIInChI=1S/C6H11NO3S.C2H6/c1-2-7-6(8)4-3-5-11(7,9)10;1-2/h2-5H2,1H3;1-2H3
InChIKeyKEDQYGCAOHCQEK-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.98
Rot. Bonds1

About ethane;2-ethyl-1,1-dioxothiazinan-3-one

ethane;2-ethyl-1,1-dioxothiazinan-3-one (PubChem CID 143100666) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is ethane;2-ethyl-1,1-dioxothiazinan-3-one.

Molecular Properties

Compound Nameethane;2-ethyl-1,1-dioxothiazinan-3-one
PubChem CID143100666
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Nameethane;2-ethyl-1,1-dioxothiazinan-3-one
SMILESCC.CCN1C(=O)CCCS1(=O)=O
InChIInChI=1S/C6H11NO3S.C2H6/c1-2-7-6(8)4-3-5-11(7,9)10;1-2/h2-5H2,1H3;1-2H3
InChIKeyKEDQYGCAOHCQEK-UHFFFAOYSA-N
XLogP0.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2-ethyl-1,1-dioxothiazinan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1,1-dioxothiazinan-3-one?
The IUPAC name of ethane;2-ethyl-1,1-dioxothiazinan-3-one (CID 143100666) is ethane;2-ethyl-1,1-dioxothiazinan-3-one.
What is the SMILES notation for ethane;2-ethyl-1,1-dioxothiazinan-3-one?
The canonical SMILES for ethane;2-ethyl-1,1-dioxothiazinan-3-one is CC.CCN1C(=O)CCCS1(=O)=O.
What is the InChIKey of ethane;2-ethyl-1,1-dioxothiazinan-3-one?
The InChIKey is KEDQYGCAOHCQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S.C2H6/c1-2-7-6(8)4-3-5-11(7,9)10;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-1,1-dioxothiazinan-3-one?
ethane;2-ethyl-1,1-dioxothiazinan-3-one has a molecular weight of 207.29 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1,1-dioxothiazinan-3-one is sourced from PubChem (CID 143100666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).