1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane

C7H17N3OS — CID 138494030

IUPAC1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane
SMILESCC(C)N1CCS(=O)(=NN)CC1
InChIInChI=1S/C7H17N3OS/c1-7(2)10-3-5-12(11,9-8)6-4-10/h7H,3-6,8H2,1-2H3
InChIKeyXPDKHMPLTBSGRO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.05
Rot. Bonds1

About 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane

1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane (PubChem CID 138494030) has the molecular formula C7H17N3OS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane.

Molecular Properties

Compound Name1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane
PubChem CID138494030
Molecular FormulaC7H17N3OS
Molecular Weight191.30 g/mol
Exact Mass191.11
IUPAC Name1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane
SMILESCC(C)N1CCS(=O)(=NN)CC1
InChIInChI=1S/C7H17N3OS/c1-7(2)10-3-5-12(11,9-8)6-4-10/h7H,3-6,8H2,1-2H3
InChIKeyXPDKHMPLTBSGRO-UHFFFAOYSA-N
XLogP0.05
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane?
The IUPAC name of 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane (CID 138494030) is 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane.
What is the SMILES notation for 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane?
The canonical SMILES for 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane is CC(C)N1CCS(=O)(=NN)CC1.
What is the InChIKey of 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane?
The InChIKey is XPDKHMPLTBSGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3OS/c1-7(2)10-3-5-12(11,9-8)6-4-10/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane?
1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane has a molecular weight of 191.30 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylidene-1-oxo-4-propan-2-yl-1,4-thiazinane is sourced from PubChem (CID 138494030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).