(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine

C14H18N2O2S — CID 114984621

IUPAC(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine
SMILESCS(=O)(=O)CCC(NN)c1cccc2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-19(17,18)10-9-14(16-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,16H,9-10,15H2,1H3
InChIKeyQYPSQZPCXWRXHP-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.78
Rot. Bonds5

About (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine

(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine (PubChem CID 114984621) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine.

Molecular Properties

Compound Name(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine
PubChem CID114984621
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine
SMILESCS(=O)(=O)CCC(NN)c1cccc2ccccc12
InChIInChI=1S/C14H18N2O2S/c1-19(17,18)10-9-14(16-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,16H,9-10,15H2,1H3
InChIKeyQYPSQZPCXWRXHP-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.78
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-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine
CID 114985018
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592
(1-naphthalen-1-yl-2-propan-2-ylsulfanylethyl)hydrazine
CID 105226218
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985081
(3-cyclohexyl-1-naphthalen-1-ylpropyl)hydrazine
CID 105301235
[1-(2,3-difluorophenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290950
(1-naphthalen-1-yl-3-thiophen-3-ylpropyl)hydrazine
CID 105213252
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
CID 114984570
(1-naphthalen-1-yl-2-phenylsulfanylethyl)hydrazine
CID 105228218
[4-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105290966

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine?
The IUPAC name of (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine (CID 114984621) is (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine.
What is the SMILES notation for (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine?
The canonical SMILES for (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine is CS(=O)(=O)CCC(NN)c1cccc2ccccc12.
What is the InChIKey of (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine?
The InChIKey is QYPSQZPCXWRXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-19(17,18)10-9-14(16-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,16H,9-10,15H2,1H3.
What are the key properties of (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine?
(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine has a molecular weight of 278.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine is sourced from PubChem (CID 114984621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).