[(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine

C16H26N2O2S — CID 105312315

IUPAC[(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine
SMILESCC1CCC(C(NN)c2cccc(S(C)(=O)=O)c2)CC1C
InChIInChI=1S/C16H26N2O2S/c1-11-7-8-14(9-12(11)2)16(18-17)13-5-4-6-15(10-13)21(3,19)20/h4-6,10-12,14,16,18H,7-9,17H2,1-3H3
InChIKeyDLLGVROGERIXKJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.67
Rot. Bonds4

About [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine

[(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine (PubChem CID 105312315) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine
PubChem CID105312315
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine
SMILESCC1CCC(C(NN)c2cccc(S(C)(=O)=O)c2)CC1C
InChIInChI=1S/C16H26N2O2S/c1-11-7-8-14(9-12(11)2)16(18-17)13-5-4-6-15(10-13)21(3,19)20/h4-6,10-12,14,16,18H,7-9,17H2,1-3H3
InChIKeyDLLGVROGERIXKJ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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

[(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312464
[2,3-dihydro-1,4-benzodioxin-6-yl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312385
(3,5-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methanamine
CID 104988816
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
CID 115847281
N-[(3-bromophenyl)-(3,4-dimethylcyclohexyl)methyl]ethanamine
CID 64739441
[(3-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105200776
[(3,4-dimethylcyclohexyl)-thiophen-2-ylmethyl]hydrazine
CID 105193681
N-[cyclopropyl(phenyl)methyl]-3-methylsulfonylaniline
CID 61313567
N-(dicyclopropylmethyl)-3-methylsulfonylaniline
CID 54861516
[(5-chloro-2-methylphenyl)-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312511
[(3-bromophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105197926
[(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105312456

Frequently Asked Questions

What is the IUPAC name of [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine?
The IUPAC name of [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine (CID 105312315) is [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine?
The canonical SMILES for [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine is CC1CCC(C(NN)c2cccc(S(C)(=O)=O)c2)CC1C.
What is the InChIKey of [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine?
The InChIKey is DLLGVROGERIXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-7-8-14(9-12(11)2)16(18-17)13-5-4-6-15(10-13)21(3,19)20/h4-6,10-12,14,16,18H,7-9,17H2,1-3H3.
What are the key properties of [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine?
[(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine has a molecular weight of 310.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dimethylcyclohexyl)-(3-methylsulfonylphenyl)methyl]hydrazine is sourced from PubChem (CID 105312315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).