(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine

C13H17N3O2S — CID 114985018

IUPAC(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine
SMILESCS(=O)(=O)CCC(NN)c1ccnc2ccccc12
InChIInChI=1S/C13H17N3O2S/c1-19(17,18)9-7-13(16-14)11-6-8-15-12-5-3-2-4-10(11)12/h2-6,8,13,16H,7,9,14H2,1H3
InChIKeyUILCCQBJXQDIIS-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.17
Rot. Bonds5

About (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine

(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine (PubChem CID 114985018) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine.

Molecular Properties

Compound Name(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine
PubChem CID114985018
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine
SMILESCS(=O)(=O)CCC(NN)c1ccnc2ccccc12
InChIInChI=1S/C13H17N3O2S/c1-19(17,18)9-7-13(16-14)11-6-8-15-12-5-3-2-4-10(11)12/h2-6,8,13,16H,7,9,14H2,1H3
InChIKeyUILCCQBJXQDIIS-UHFFFAOYSA-N
XLogP1.17
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.17
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'}

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Related Compounds

(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine
CID 114984621
1-quinolin-4-ylhex-4-ynylhydrazine
CID 105334903
(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine
CID 105310780
(1-quinolin-4-yl-3-thiophen-2-ylpropyl)hydrazine
CID 105308809
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
CID 114984570
1-quinolin-4-yloct-7-enylhydrazine
CID 107013009
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
1-quinolin-5-ylpentylhydrazine
CID 105245773
[2-(2-methyltetrazol-5-yl)-1-quinolin-4-ylethyl]hydrazine
CID 107066899
2-amino-4-methylsulfonyl-1-quinolin-5-ylbutan-1-one
CID 116552040
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985081
2-methoxy-N-methyl-1-quinolin-4-ylethanamine
CID 105165529

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine?
The IUPAC name of (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine (CID 114985018) is (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine.
What is the SMILES notation for (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine?
The canonical SMILES for (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine is CS(=O)(=O)CCC(NN)c1ccnc2ccccc12.
What is the InChIKey of (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine?
The InChIKey is UILCCQBJXQDIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-19(17,18)9-7-13(16-14)11-6-8-15-12-5-3-2-4-10(11)12/h2-6,8,13,16H,7,9,14H2,1H3.
What are the key properties of (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine?
(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine has a molecular weight of 279.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine is sourced from PubChem (CID 114985018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).