N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide

C11H24N2O3S — CID 63245848

IUPACN-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C11H24N2O3S/c1-2-16-8-9-17(14,15)13-11(10-12)6-4-3-5-7-11/h13H,2-10,12H2,1H3
InChIKeyZTZSETZHLCQOPT-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.60
Rot. Bonds7

About N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide

N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide (PubChem CID 63245848) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide
PubChem CID63245848
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1(CN)CCCCC1
InChIInChI=1S/C11H24N2O3S/c1-2-16-8-9-17(14,15)13-11(10-12)6-4-3-5-7-11/h13H,2-10,12H2,1H3
InChIKeyZTZSETZHLCQOPT-UHFFFAOYSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide 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

N-(cyclohexylmethyl)-2-methoxyethanesulfonamide
CID 72148758
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyethanesulfonamide
CID 79594262
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
CID 71057607
1-(1-aminocyclohexyl)-N-methylmethanesulfonamide
CID 71057763
1-(1-aminocyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 71057832
N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide
CID 90239526
ethane;N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide;molecular hydrogen
CID 178702139
N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide
CID 178702140
N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide;molecular hydrogen
CID 178702201
2-methoxy-N-(4-methylcyclohexyl)ethanesulfonamide
CID 178702295
ethane;N-(4-ethylcyclohexyl)-2-methoxyethanesulfonamide
CID 178762318

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide (CID 63245848) is N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide?
The InChIKey is ZTZSETZHLCQOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-2-16-8-9-17(14,15)13-11(10-12)6-4-3-5-7-11/h13H,2-10,12H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63245848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).