[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine

C14H22N2OS — CID 105333582

IUPAC[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCCC(CC1CCOc2ccccc21)NN
InChIInChI=1S/C14H22N2OS/c1-18-9-7-12(16-15)10-11-6-8-17-14-5-3-2-4-13(11)14/h2-5,11-12,16H,6-10,15H2,1H3
InChIKeyHIUCANSRULCWAH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.53
Rot. Bonds6

About [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine

[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine (PubChem CID 105333582) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine
PubChem CID105333582
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCCC(CC1CCOc2ccccc21)NN
InChIInChI=1S/C14H22N2OS/c1-18-9-7-12(16-15)10-11-6-8-17-14-5-3-2-4-13(11)14/h2-5,11-12,16H,6-10,15H2,1H3
InChIKeyHIUCANSRULCWAH-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.53
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

4-(3,4-dihydro-2H-chromen-4-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259425
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115721989
[3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265294
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 114985281
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107194689
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 104770235

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine (CID 105333582) is [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine is CSCCC(CC1CCOc2ccccc21)NN.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine?
The InChIKey is HIUCANSRULCWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-18-9-7-12(16-15)10-11-6-8-17-14-5-3-2-4-13(11)14/h2-5,11-12,16H,6-10,15H2,1H3.
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine?
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine has a molecular weight of 266.41 g/mol, XLogP of 2.53, 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-2H-chromen-4-yl)-4-methylsulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 105333582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).