[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine

C13H28N2O3S — CID 105277043

IUPAC[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
SMILESCOC1(C(CCCS(C)(=O)=O)NN)CCC(C)CC1
InChIInChI=1S/C13H28N2O3S/c1-11-6-8-13(18-2,9-7-11)12(15-14)5-4-10-19(3,16)17/h11-12,15H,4-10,14H2,1-3H3
InChIKeyLACGTLCEKSWIQV-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.24
Rot. Bonds7

About [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine

[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine (PubChem CID 105277043) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
PubChem CID105277043
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
SMILESCOC1(C(CCCS(C)(=O)=O)NN)CCC(C)CC1
InChIInChI=1S/C13H28N2O3S/c1-11-6-8-13(18-2,9-7-11)12(15-14)5-4-10-19(3,16)17/h11-12,15H,4-10,14H2,1-3H3
InChIKeyLACGTLCEKSWIQV-UHFFFAOYSA-N
XLogP1.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-ethoxy-4-methylcyclohexyl)-4-ethylsulfonylbutyl]hydrazine
CID 105277264
[4-ethylsulfonyl-1-(1-methoxycyclopentyl)butyl]hydrazine
CID 105268624
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 116767832
[3-ethyl-1-(1-methoxy-4-methylcyclohexyl)pentyl]hydrazine
CID 105277200
1-(1-methoxycycloheptyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 116770476
1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
CID 104610727
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766596
[cyclopropyl-(1-methoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105276994
1-(1-methoxycyclobutyl)heptylhydrazine
CID 105270416
1-(1-methoxycyclohexyl)hexylhydrazine
CID 105276130
1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine
CID 116764422
[(1-methoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105277132

Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine?
The IUPAC name of [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine (CID 105277043) is [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine.
What is the SMILES notation for [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine?
The canonical SMILES for [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine is COC1(C(CCCS(C)(=O)=O)NN)CCC(C)CC1.
What is the InChIKey of [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine?
The InChIKey is LACGTLCEKSWIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-11-6-8-13(18-2,9-7-11)12(15-14)5-4-10-19(3,16)17/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine?
[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine has a molecular weight of 292.44 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine is sourced from PubChem (CID 105277043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).