1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine

C7H16N2O2S — CID 105282571

IUPAC1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine
SMILESCC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C7H16N2O2S/c1-6(9-8)4-7-2-3-12(10,11)5-7/h6-7,9H,2-5,8H2,1H3
InChIKeyXFTKBDOXVQJZLE-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.34
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine

1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine (PubChem CID 105282571) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine
PubChem CID105282571
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine
SMILESCC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C7H16N2O2S/c1-6(9-8)4-7-2-3-12(10,11)5-7/h6-7,9H,2-5,8H2,1H3
InChIKeyXFTKBDOXVQJZLE-UHFFFAOYSA-N
XLogP-0.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
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

3-Thiophenethylamine, tetrahydro-alpha-methyl-, 1,1-dioxide, hydrochloride
CID 200358
1-(1,1-Dioxothiolan-3-yl)propan-2-amine
CID 200359
[1-(1,1-Dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105258756
[1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105258853
[1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105313878
[1-(1,1-Dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105328934
(2,4-Dimethyl-1,1-dioxothiolan-3-yl)hydrazine
CID 154245017
1,1-Dioxo-2-propan-2-ylthiolane-3,4-diamine
CID 82402460
1,1-Dioxo-4-propylthiolan-3-amine
CID 83482078
3-Amino-4-(2-methylpropyl)-1lambda6-thiolane-1,1-dione
CID 83484053
1-(5-Methyl-1,1-dioxothiolan-3-yl)ethanamine
CID 83906231
2-(1,1-Dioxothiolan-3-yl)ethylhydrazine
CID 84656674

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine (CID 105282571) is 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine is CC(CC1CCS(=O)(=O)C1)NN.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine?
The InChIKey is XFTKBDOXVQJZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6(9-8)4-7-2-3-12(10,11)5-7/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine?
1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine has a molecular weight of 192.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)propan-2-ylhydrazine is sourced from PubChem (CID 105282571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).