[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C13H26N2O2S — CID 105204403

IUPAC[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)C2CCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)12-8-4-7-11(9-12)13(15-14)10-5-2-3-6-10/h10-13,15H,2-9,14H2,1H3
InChIKeyUHHNEURJCIUNFA-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.61
Rot. Bonds4

About [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 105204403) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID105204403
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)C2CCCC2)C1
InChIInChI=1S/C13H26N2O2S/c1-18(16,17)12-8-4-7-11(9-12)13(15-14)10-5-2-3-6-10/h10-13,15H,2-9,14H2,1H3
InChIKeyUHHNEURJCIUNFA-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.61
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-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229423
[2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105324224
[2-methylsulfanyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105213955
2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 105014178
1-(4,4-difluorocyclohexyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105168802
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496
3-hydrazinyl-N,N-dimethyl-3-(3-methylsulfonylcyclohexyl)propan-1-amine
CID 105259284
[cyclobutyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210413
[(3,5-difluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105207898
N,N-diethyl-1-hydrazinyl-2-methyl-1-(3-methylsulfonylcyclohexyl)propan-2-amine
CID 105239337
[(4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105192762

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 105204403) is [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)C2CCCC2)C1.
What is the InChIKey of [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is UHHNEURJCIUNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-18(16,17)12-8-4-7-11(9-12)13(15-14)10-5-2-3-6-10/h10-13,15H,2-9,14H2,1H3.
What are the key properties of [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 274.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105204403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).