[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine

C15H24N2OS — CID 114984696

IUPAC[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
SMILESCC(C)SCC(CC1OCCc2ccccc21)NN
InChIInChI=1S/C15H24N2OS/c1-11(2)19-10-13(17-16)9-15-14-6-4-3-5-12(14)7-8-18-15/h3-6,11,13,15,17H,7-10,16H2,1-2H3
InChIKeyKAYAAEOMJNTKBY-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.66
Rot. Bonds6

About [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine

[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine (PubChem CID 114984696) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
PubChem CID114984696
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
SMILESCC(C)SCC(CC1OCCc2ccccc21)NN
InChIInChI=1S/C15H24N2OS/c1-11(2)19-10-13(17-16)9-15-14-6-4-3-5-12(14)7-8-18-15/h3-6,11,13,15,17H,7-10,16H2,1-2H3
InChIKeyKAYAAEOMJNTKBY-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.66
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-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132060
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 114985281
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 114985326
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135069
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 114985283
N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine
CID 14141282
[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
CID 114984729
[1-cyclopropyl-3-(3,4-dihydro-1H-isochromen-1-yl)-1-ethoxypropan-2-yl]hydrazine
CID 114984946
3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093089
1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 114984419
[2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-iodophenyl)ethyl]hydrazine
CID 114985317

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine (CID 114984696) is [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine is CC(C)SCC(CC1OCCc2ccccc21)NN.
What is the InChIKey of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The InChIKey is KAYAAEOMJNTKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)19-10-13(17-16)9-15-14-6-4-3-5-12(14)7-8-18-15/h3-6,11,13,15,17H,7-10,16H2,1-2H3.
What are the key properties of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine has a molecular weight of 280.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 114984696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).