[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine

C12H26N2O2S — CID 105331286

IUPAC[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine
SMILESCC(C)CCCC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C12H26N2O2S/c1-10(2)4-3-5-12(14-13)8-11-6-7-17(15,16)9-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyTXESOZUARPMNSO-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.47
Rot. Bonds7

About [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine

[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine (PubChem CID 105331286) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine
PubChem CID105331286
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine
SMILESCC(C)CCCC(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C12H26N2O2S/c1-10(2)4-3-5-12(14-13)8-11-6-7-17(15,16)9-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyTXESOZUARPMNSO-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.47
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)-6-methyl-N-propylheptan-2-amine
CID 105177004
[1-(1,1-dioxothiolan-3-yl)-4-methylhexan-2-yl]hydrazine
CID 105298532
1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine
CID 105125639
1-(1,1-dioxothiolan-3-yl)hex-4-yn-2-ylhydrazine
CID 105290634
[1-(1,1-dioxothiolan-3-yl)-3-phenylpropan-2-yl]hydrazine
CID 105283106
1-(1,1-dioxothiolan-3-yl)-N-propylpentan-2-amine
CID 61058899
[1-(1,1-dioxothiolan-3-yl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105285193
[1-(1,1-dioxothiolan-3-yl)-4-methylpentyl]hydrazine
CID 105258751
1-(1,1-dioxothiolan-3-yl)-N,3-dimethylhexan-2-amine
CID 107893846
[1-(1-butan-2-ylpyrazol-3-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-yl]hydrazine
CID 105312568
[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

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine (CID 105331286) is [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine is CC(C)CCCC(CC1CCS(=O)(=O)C1)NN.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine?
The InChIKey is TXESOZUARPMNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10(2)4-3-5-12(14-13)8-11-6-7-17(15,16)9-11/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine?
[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine has a molecular weight of 262.42 g/mol, XLogP of 1.47, 7 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)-6-methylheptan-2-yl]hydrazine is sourced from PubChem (CID 105331286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).