[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine

C13H20N2O2S — CID 105310766

IUPAC[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine
SMILESCS(=O)(=O)CC(Cc1ccc2c(c1)CCC2)NN
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)9-13(15-14)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,13,15H,2-4,8-9,14H2,1H3
InChIKeyQQQBYSYOYYXWCL-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.59
Rot. Bonds5

About [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine

[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine (PubChem CID 105310766) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine
PubChem CID105310766
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine
SMILESCS(=O)(=O)CC(Cc1ccc2c(c1)CCC2)NN
InChIInChI=1S/C13H20N2O2S/c1-18(16,17)9-13(15-14)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,13,15H,2-4,8-9,14H2,1H3
InChIKeyQQQBYSYOYYXWCL-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.59
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-(2,3-dihydro-1H-inden-5-yl)-5-methylhexan-2-yl]hydrazine
CID 105207475
3-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244662
[1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225261
[1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]hydrazine
CID 103170568
[1-(2,3-dihydro-1H-inden-5-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225635
[1-(2,3-dihydro-1H-inden-5-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105310746
[1-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105310742
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
CID 82351467
[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105324883
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
[2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylphenyl)ethyl]hydrazine
CID 105200358

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine (CID 105310766) is [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine is CS(=O)(=O)CC(Cc1ccc2c(c1)CCC2)NN.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine?
The InChIKey is QQQBYSYOYYXWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-18(16,17)9-13(15-14)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,13,15H,2-4,8-9,14H2,1H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine?
[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine has a molecular weight of 268.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine is sourced from PubChem (CID 105310766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).