1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine

C10H18N2O2S — CID 105290634

IUPAC1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine
SMILESCC#CCC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C10H18N2O2S/c1-2-3-4-10(12-11)7-9-5-6-15(13,14)8-9/h9-10,12H,4-8,11H2,1H3
InChIKeyJCSJURNENWOACI-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.06
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine

1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine (PubChem CID 105290634) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine
PubChem CID105290634
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine
SMILESCC#CCC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C10H18N2O2S/c1-2-3-4-10(12-11)7-9-5-6-15(13,14)8-9/h9-10,12H,4-8,11H2,1H3
InChIKeyJCSJURNENWOACI-UHFFFAOYSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.06
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(1,1-dioxothiolan-3-yl)-4-methylhexan-2-yl]hydrazine
CID 105298532
[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine
CID 105331286
[1-(1,1-dioxothiolan-3-yl)-3-phenylpropan-2-yl]hydrazine
CID 105283106
[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105285193
[1-(1,1-dioxothiolan-3-yl)-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105340830
[1-(1,1-dioxothiolan-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105295494
1-(1,1-dioxothiolan-3-yl)-N-propylpentan-2-amine
CID 61058899
[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105330653
1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine
CID 105125639
[1-(1-butan-2-ylpyrazol-3-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
CID 105312568
[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105292845
2-(1,1-dioxothiolan-3-yl)-N-pent-3-ynylacetamide
CID 115977379

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine (CID 105290634) is 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine is CC#CCC(CC1CCS(=O)(=O)C1)NN.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine?
The InChIKey is JCSJURNENWOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-3-4-10(12-11)7-9-5-6-15(13,14)8-9/h9-10,12H,4-8,11H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine?
1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine has a molecular weight of 230.33 g/mol, XLogP of 0.06, 4 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)hex-4-yn-2-ylhydrazine is sourced from PubChem (CID 105290634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).