2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine

C10H19N3S — CID 106363567

IUPAC2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=NC2CCCCC2CS1
InChIInChI=1S/C10H19N3S/c1-13(2)12-10-11-9-6-4-3-5-8(9)7-14-10/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyXIWPDMGXXLCRTH-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.71
Rot. Bonds1

About 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine

2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine (PubChem CID 106363567) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine
PubChem CID106363567
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine
SMILESCN(C)NC1=NC2CCCCC2CS1
InChIInChI=1S/C10H19N3S/c1-13(2)12-10-11-9-6-4-3-5-8(9)7-14-10/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyXIWPDMGXXLCRTH-UHFFFAOYSA-N
XLogP1.71
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine?
The IUPAC name of 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine (CID 106363567) is 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine.
What is the SMILES notation for 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine?
The canonical SMILES for 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine is CN(C)NC1=NC2CCCCC2CS1.
What is the InChIKey of 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine?
The InChIKey is XIWPDMGXXLCRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-13(2)12-10-11-9-6-4-3-5-8(9)7-14-10/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine?
2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine has a molecular weight of 213.35 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine is sourced from PubChem (CID 106363567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).