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

C9H15N3O2S — CID 653394

IUPAC3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(N)=O)CC(=O)N1CC
InChIInChI=1S/C9H15N3O2S/c1-3-11-9-12(4-2)7(13)5-6(15-9)8(10)14/h6H,3-5H2,1-2H3,(H2,10,14)/b11-9-
InChIKeyMYXRUFRVJSTKTM-LUAWRHEFSA-N
MW229.30 g/mol
LogP0.20
Rot. Bonds3

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

3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 653394) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID653394
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\SC(C(N)=O)CC(=O)N1CC
InChIInChI=1S/C9H15N3O2S/c1-3-11-9-12(4-2)7(13)5-6(15-9)8(10)14/h6H,3-5H2,1-2H3,(H2,10,14)/b11-9-
InChIKeyMYXRUFRVJSTKTM-LUAWRHEFSA-N
XLogP0.20
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Butyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149578
N-Ethyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149567
2-(3-Ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)acetamide
CID 3149571
N-butyl-2-[(2Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3150952
2-[(2Z)-3-butyl-2-(butylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3585489
2-[2-(azaethylidene)-4-oxo(1,3-thiazolidin-5-yl)]-N-ethylacetamide
CID 135511729
(E)-N-ethyl-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3149576
(2Z)-3-ethyl-2-(ethylimino)-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3543370
N-butyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3821608
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 142312092
(6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
CID 671435
(6R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
CID 671436

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of 3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 653394) is 3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for 3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for 3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\SC(C(N)=O)CC(=O)N1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is MYXRUFRVJSTKTM-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-11-9-12(4-2)7(13)5-6(15-9)8(10)14/h6H,3-5H2,1-2H3,(H2,10,14)/b11-9-.
What are the key properties of 3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.20, 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-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 653394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).