1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine

C7H16N2O2S — CID 21206245

IUPAC1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine
SMILESCN(C)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O2S/c1-7(8-9(2)3)4-5-12(10,11)6-7/h8H,4-6H2,1-3H3
InChIKeyZKHXXMJFBHXEPC-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds2

About 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine

1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine (PubChem CID 21206245) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine
PubChem CID21206245
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine
SMILESCN(C)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O2S/c1-7(8-9(2)3)4-5-12(10,11)6-7/h8H,4-6H2,1-3H3
InChIKeyZKHXXMJFBHXEPC-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.37
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 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine?
The IUPAC name of 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine (CID 21206245) is 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine?
The canonical SMILES for 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine is CN(C)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine?
The InChIKey is ZKHXXMJFBHXEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-7(8-9(2)3)4-5-12(10,11)6-7/h8H,4-6H2,1-3H3.
What are the key properties of 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine?
1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine has a molecular weight of 192.28 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(3-methyl-1,1-dioxothiolan-3-yl)hydrazine is sourced from PubChem (CID 21206245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).