[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine

C14H24N2O2S — CID 105299901

IUPAC[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine
SMILESCC(C)(C)CCC(NN)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)9-8-13(16-15)11-6-5-7-12(10-11)19(4,17)18/h5-7,10,13,16H,8-9,15H2,1-4H3
InChIKeyJEYXBUJRDIVZGT-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.42
Rot. Bonds5

About [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine

[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine (PubChem CID 105299901) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine
PubChem CID105299901
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine
SMILESCC(C)(C)CCC(NN)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)9-8-13(16-15)11-6-5-7-12(10-11)19(4,17)18/h5-7,10,13,16H,8-9,15H2,1-4H3
InChIKeyJEYXBUJRDIVZGT-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.42
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

[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105328847
[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
(4,4-dimethyl-1-phenylpentyl)hydrazine
CID 105199306
[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315250
N-ethyl-4-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115834610
[1-(3,4-difluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105197132
2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 105008924
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115782739
N-ethyl-4-methylsulfonyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115820906
[furan-2-yl-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105305957
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine?
The IUPAC name of [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine (CID 105299901) is [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine.
What is the SMILES notation for [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine?
The canonical SMILES for [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine is CC(C)(C)CCC(NN)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine?
The InChIKey is JEYXBUJRDIVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-14(2,3)9-8-13(16-15)11-6-5-7-12(10-11)19(4,17)18/h5-7,10,13,16H,8-9,15H2,1-4H3.
What are the key properties of [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine?
[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine has a molecular weight of 284.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine is sourced from PubChem (CID 105299901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).