N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide

C13H28N2O3S — CID 55175654

IUPACN-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)C1(CN)CCCCCC1
InChIInChI=1S/C13H28N2O3S/c1-3-18-10-11-19(16,17)15(2)13(12-14)8-6-4-5-7-9-13/h3-12,14H2,1-2H3
InChIKeyQFKMFRXNQSLYOK-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.34
Rot. Bonds7

About N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide (PubChem CID 55175654) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide
PubChem CID55175654
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)C1(CN)CCCCCC1
InChIInChI=1S/C13H28N2O3S/c1-3-18-10-11-19(16,17)15(2)13(12-14)8-6-4-5-7-9-13/h3-12,14H2,1-2H3
InChIKeyQFKMFRXNQSLYOK-UHFFFAOYSA-N
XLogP1.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide 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-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 55009781
N-[(1-aminocycloheptyl)methyl]-2-methoxyethanesulfonamide
CID 55014025
N-[1-(aminomethyl)cycloheptyl]-3-methoxypropane-1-sulfonamide
CID 55172490
N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 55172496
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172685
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide
CID 55172877
N-[1-(aminomethyl)cycloheptyl]-2-ethoxyethanesulfonamide
CID 55175263
N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175653
N-[3-(aminomethyl)pentan-3-yl]-2-ethoxy-N-ethylethanesulfonamide
CID 55175847
N-[1-(aminomethyl)cycloheptyl]-N,2-dimethylpropane-2-sulfonamide
CID 55232811
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-methoxyethanesulfonamide
CID 56790202
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide
CID 62007429

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide (CID 55175654) is N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)C1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is QFKMFRXNQSLYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-18-10-11-19(16,17)15(2)13(12-14)8-6-4-5-7-9-13/h3-12,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 55175654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).