(2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid

C11H15N3O3S — CID 135726758

IUPAC(2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)S/C(=N/N=C2CCCCC2)N1
InChIInChI=1S/C11H15N3O3S/c15-9-6-8(10(16)17)18-11(12-9)14-13-7-4-2-1-3-5-7/h8H,1-6H2,(H,16,17)(H,12,14,15)/t8-/m0/s1
InChIKeyHUURHTSEIJRTGI-QMMMGPOBSA-N
MW269.33 g/mol
LogP1.37
Rot. Bonds2

About (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid

(2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid (PubChem CID 135726758) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid.

Molecular Properties

Compound Name(2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
PubChem CID135726758
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name(2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)S/C(=N/N=C2CCCCC2)N1
InChIInChI=1S/C11H15N3O3S/c15-9-6-8(10(16)17)18-11(12-9)14-13-7-4-2-1-3-5-7/h8H,1-6H2,(H,16,17)(H,12,14,15)/t8-/m0/s1
InChIKeyHUURHTSEIJRTGI-QMMMGPOBSA-N
XLogP1.37
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6R)-4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazinane-6-carboxylic acid
CID 137230444
2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135474986
(6R)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 136919153
(2E,6S)-4-oxo-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazinane-6-carboxylic acid
CID 135765195
(2E,6R)-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135603317
2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 137190764
2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135492618
2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135482577
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135589748
(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135413844
N-(cyclooctadecylideneamino)cyclooctadecanimine
CID 22178407
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245

Frequently Asked Questions

What is the IUPAC name of (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid?
The IUPAC name of (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid (CID 135726758) is (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid.
What is the SMILES notation for (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid?
The canonical SMILES for (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid is O=C1C[C@@H](C(=O)O)S/C(=N/N=C2CCCCC2)N1.
What is the InChIKey of (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid?
The InChIKey is HUURHTSEIJRTGI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3S/c15-9-6-8(10(16)17)18-11(12-9)14-13-7-4-2-1-3-5-7/h8H,1-6H2,(H,16,17)(H,12,14,15)/t8-/m0/s1.
What are the key properties of (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid?
(2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid is sourced from PubChem (CID 135726758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).