methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate

C6H13N3O3S — CID 129116107

IUPACmethyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate
SMILESCOC(=O)N1CCS(=O)(=NN)CC1
InChIInChI=1S/C6H13N3O3S/c1-12-6(10)9-2-4-13(11,8-7)5-3-9/h2-5,7H2,1H3
InChIKeyFODZMDQADLRFQW-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.59
Rot. Bonds

About methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate

methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate (PubChem CID 129116107) has the molecular formula C6H13N3O3S and a molecular weight of 207.25 g/mol. Its IUPAC name is methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate
PubChem CID129116107
Molecular FormulaC6H13N3O3S
Molecular Weight207.25 g/mol
Exact Mass207.07
IUPAC Namemethyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate
SMILESCOC(=O)N1CCS(=O)(=NN)CC1
InChIInChI=1S/C6H13N3O3S/c1-12-6(10)9-2-4-13(11,8-7)5-3-9/h2-5,7H2,1H3
InChIKeyFODZMDQADLRFQW-UHFFFAOYSA-N
XLogP-0.59
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate?
The IUPAC name of methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate (CID 129116107) is methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate.
What is the SMILES notation for methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate?
The canonical SMILES for methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate is COC(=O)N1CCS(=O)(=NN)CC1.
What is the InChIKey of methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate?
The InChIKey is FODZMDQADLRFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3S/c1-12-6(10)9-2-4-13(11,8-7)5-3-9/h2-5,7H2,1H3.
What are the key properties of methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate?
methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate has a molecular weight of 207.25 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-hydrazinylidene-1-oxo-1,4-thiazinane-4-carboxylate is sourced from PubChem (CID 129116107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).