3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide

C10H17N3O2S — CID 3543370

IUPAC3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)NC)CC(=O)N1CC
InChIInChI=1S/C10H17N3O2S/c1-4-12-10-13(5-2)8(14)6-7(16-10)9(15)11-3/h7H,4-6H2,1-3H3,(H,11,15)/b12-10-
InChIKeyCNUJBCBQGXWSAX-BENRWUELSA-N
MW243.33 g/mol
LogP0.46
Rot. Bonds3

About 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide

3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 3543370) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID3543370
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(=O)NC)CC(=O)N1CC
InChIInChI=1S/C10H17N3O2S/c1-4-12-10-13(5-2)8(14)6-7(16-10)9(15)11-3/h7H,4-6H2,1-3H3,(H,11,15)/b12-10-
InChIKeyCNUJBCBQGXWSAX-BENRWUELSA-N
XLogP0.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide 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 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide (CID 3543370) is 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(=O)NC)CC(=O)N1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is CNUJBCBQGXWSAX-BENRWUELSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-12-10-13(5-2)8(14)6-7(16-10)9(15)11-3/h7H,4-6H2,1-3H3,(H,11,15)/b12-10-.
What are the key properties of 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide?
3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 3543370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).