[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine

C10H22N2O2S — CID 105258751

IUPAC[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine
SMILESCC(C)CCC(NN)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O2S/c1-8(2)3-4-10(12-11)9-5-6-15(13,14)7-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyOIPCEJTZHPRBIT-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.69
Rot. Bonds5

About [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine (PubChem CID 105258751) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine
PubChem CID105258751
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine
SMILESCC(C)CCC(NN)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O2S/c1-8(2)3-4-10(12-11)9-5-6-15(13,14)7-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyOIPCEJTZHPRBIT-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.69
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

[1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105258756
1-(1,1-dioxothiolan-3-yl)-4-methyl-N-propylpentan-1-amine
CID 113289799
[2-(3,5-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258836
[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
[1-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105258993
[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine
CID 105331286
[4-methyl-1-(thiolan-3-yl)pentyl]hydrazine
CID 105294315
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258943
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
[2-(5-bromo-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105258878
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylpentan-1-amine
CID 115336853
[1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105258767

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine (CID 105258751) is [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine is CC(C)CCC(NN)C1CCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine?
The InChIKey is OIPCEJTZHPRBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)3-4-10(12-11)9-5-6-15(13,14)7-9/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine has a molecular weight of 234.36 g/mol, XLogP of 0.69, 5 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)-4-methylpentyl]hydrazine is sourced from PubChem (CID 105258751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).