2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid

C10H13N3O3S — CID 135474986

IUPAC2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
SMILESO=C1CC(C(=O)O)SC(=NNC2=CCCC2)N1
InChIInChI=1S/C10H13N3O3S/c14-8-5-7(9(15)16)17-10(11-8)13-12-6-3-1-2-4-6/h3,7,12H,1-2,4-5H2,(H,15,16)(H,11,13,14)
InChIKeyIIBVVMCJQVFOPV-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.62
Rot. Bonds3

About 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid

2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid (PubChem CID 135474986) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
PubChem CID135474986
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
SMILESO=C1CC(C(=O)O)SC(=NNC2=CCCC2)N1
InChIInChI=1S/C10H13N3O3S/c14-8-5-7(9(15)16)17-10(11-8)13-12-6-3-1-2-4-6/h3,7,12H,1-2,4-5H2,(H,15,16)(H,11,13,14)
InChIKeyIIBVVMCJQVFOPV-UHFFFAOYSA-N
XLogP0.62
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid?
The IUPAC name of 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid (CID 135474986) is 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid.
What is the SMILES notation for 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid?
The canonical SMILES for 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid is O=C1CC(C(=O)O)SC(=NNC2=CCCC2)N1.
What is the InChIKey of 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid?
The InChIKey is IIBVVMCJQVFOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-8-5-7(9(15)16)17-10(11-8)13-12-6-3-1-2-4-6/h3,7,12H,1-2,4-5H2,(H,15,16)(H,11,13,14).
What are the key properties of 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid?
2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid is sourced from PubChem (CID 135474986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).