1-(1,1-dioxothian-4-yl)-1-methylhydrazine

C6H14N2O2S — CID 145167794

IUPAC1-(1,1-dioxothian-4-yl)-1-methylhydrazine
SMILESCN(N)C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S/c1-8(7)6-2-4-11(9,10)5-3-6/h6H,2-5,7H2,1H3
InChIKeyWTKUIAFZYSHORD-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds1

About 1-(1,1-dioxothian-4-yl)-1-methylhydrazine

1-(1,1-dioxothian-4-yl)-1-methylhydrazine (PubChem CID 145167794) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-1-methylhydrazine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-1-methylhydrazine
PubChem CID145167794
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-(1,1-dioxothian-4-yl)-1-methylhydrazine
SMILESCN(N)C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H14N2O2S/c1-8(7)6-2-4-11(9,10)5-3-6/h6H,2-5,7H2,1H3
InChIKeyWTKUIAFZYSHORD-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.63
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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Related Compounds

4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79121119
N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine
CID 66187291
2-[(1,1-dioxothian-4-yl)-methylamino]ethanimidamide
CID 164654850
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
CID 79707253
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
1-(1,1-dioxothiolan-3-yl)-2-hydroxy-1-methylguanidine
CID 62481876
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-1-methylhydrazine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-1-methylhydrazine (CID 145167794) is 1-(1,1-dioxothian-4-yl)-1-methylhydrazine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-1-methylhydrazine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-1-methylhydrazine is CN(N)C1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-1-methylhydrazine?
The InChIKey is WTKUIAFZYSHORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-8(7)6-2-4-11(9,10)5-3-6/h6H,2-5,7H2,1H3.
What are the key properties of 1-(1,1-dioxothian-4-yl)-1-methylhydrazine?
1-(1,1-dioxothian-4-yl)-1-methylhydrazine has a molecular weight of 178.26 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-1-methylhydrazine is sourced from PubChem (CID 145167794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).