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

C9H15N3O2S — CID 671435

IUPAC(6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\S[C@H](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-/t6-/m0/s1
InChIKeyMYXRUFRVJSTKTM-UPKCTGGXSA-N
MW229.30 g/mol
LogP0.20
Rot. Bonds3

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

(6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (PubChem CID 671435) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.

Molecular Properties

Compound Name(6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
PubChem CID671435
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide
SMILESCC/N=C1\S[C@H](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-/t6-/m0/s1
InChIKeyMYXRUFRVJSTKTM-UPKCTGGXSA-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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Frequently Asked Questions

What is the IUPAC name of (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The IUPAC name of (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide (CID 671435) is (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide.
What is the SMILES notation for (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The canonical SMILES for (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is CC/N=C1\S[C@H](C(N)=O)CC(=O)N1CC.
What is the InChIKey of (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
The InChIKey is MYXRUFRVJSTKTM-UPKCTGGXSA-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-/t6-/m0/s1.
What are the key properties of (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide?
(6S)-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 (6S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carboxamide is sourced from PubChem (CID 671435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).