[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C16H26N2O2S — CID 105324176

IUPAC[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2CCCC(S(C)(=O)=O)C2)c1C
InChIInChI=1S/C16H26N2O2S/c1-11-6-4-9-15(12(11)2)16(18-17)13-7-5-8-14(10-13)21(3,19)20/h4,6,9,13-14,16,18H,5,7-8,10,17H2,1-3H3
InChIKeyYOFXCDRDBULNSQ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.41
Rot. Bonds4

About [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 105324176) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID105324176
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2CCCC(S(C)(=O)=O)C2)c1C
InChIInChI=1S/C16H26N2O2S/c1-11-6-4-9-15(12(11)2)16(18-17)13-7-5-8-14(10-13)21(3,19)20/h4,6,9,13-14,16,18H,5,7-8,10,17H2,1-3H3
InChIKeyYOFXCDRDBULNSQ-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.41
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

[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
[(3-methylsulfonylcyclohexyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251851
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014244
[(3-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095
(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107985228
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762
[(5-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105280693
[(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105312105
(3-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822100
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
[(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924262

Frequently Asked Questions

What is the IUPAC name of [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 105324176) is [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is Cc1cccc(C(NN)C2CCCC(S(C)(=O)=O)C2)c1C.
What is the InChIKey of [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is YOFXCDRDBULNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-6-4-9-15(12(11)2)16(18-17)13-7-5-8-14(10-13)21(3,19)20/h4,6,9,13-14,16,18H,5,7-8,10,17H2,1-3H3.
What are the key properties of [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 310.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105324176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).