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

C13H20N2O3S — CID 114984739

IUPAC[1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)C1CCOc2ccccc21
InChIInChI=1S/C13H20N2O3S/c1-19(16,17)9-7-12(15-14)10-6-8-18-13-5-3-2-4-11(10)13/h2-5,10,12,15H,6-9,14H2,1H3
InChIKeyPXCOARUMKBWBCF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.82
Rot. Bonds5

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

[1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114984739) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114984739
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)C1CCOc2ccccc21
InChIInChI=1S/C13H20N2O3S/c1-19(16,17)9-7-12(15-14)10-6-8-18-13-5-3-2-4-11(10)13/h2-5,10,12,15H,6-9,14H2,1H3
InChIKeyPXCOARUMKBWBCF-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65410083
1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine
CID 105233759
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine
CID 105233846
[1-(3,4-dihydro-2H-chromen-4-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105233876
3-[2-(3,4-dihydro-2H-chromen-4-yl)-2-hydrazinylethyl]pyridin-2-amine
CID 105233874
[1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105233739
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
[2-(5-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233865
[2-(3-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233880
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105262588
[3,4-dihydro-2H-chromen-4-yl-(4-methylcyclohexyl)methyl]hydrazine
CID 105233829

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine (CID 114984739) is [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine is CS(=O)(=O)CCC(NN)C1CCOc2ccccc21.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is PXCOARUMKBWBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-19(16,17)9-7-12(15-14)10-6-8-18-13-5-3-2-4-11(10)13/h2-5,10,12,15H,6-9,14H2,1H3.
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine?
[1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 284.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114984739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).