N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide

C15H24N2O3S — CID 102704737

IUPACN-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccc(CNC)cc2OC)CCC1
InChIInChI=1S/C15H24N2O3S/c1-4-15(8-5-9-15)17-21(18,19)14-7-6-12(11-16-2)10-13(14)20-3/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyKRJVTAGTKZJYCX-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.03
Rot. Bonds7

About N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide

N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 102704737) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
PubChem CID102704737
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccc(CNC)cc2OC)CCC1
InChIInChI=1S/C15H24N2O3S/c1-4-15(8-5-9-15)17-21(18,19)14-7-6-12(11-16-2)10-13(14)20-3/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyKRJVTAGTKZJYCX-UHFFFAOYSA-N
XLogP2.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylcyclobutyl)-2-methoxy-5-(methoxymethyl)benzenesulfonamide
CID 132971025
5-bromo-N-(1-ethylcyclobutyl)-2-methoxybenzenesulfonamide
CID 113248620
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 102704578
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623
N-[1-(aminomethyl)cyclopentyl]-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
CID 120875141

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide (CID 102704737) is N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide is CCC1(NS(=O)(=O)c2ccc(CNC)cc2OC)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is KRJVTAGTKZJYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-15(8-5-9-15)17-21(18,19)14-7-6-12(11-16-2)10-13(14)20-3/h6-7,10,16-17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102704737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).