5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide

C15H24N2O3S — CID 106090964

IUPAC5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCC1(OC)CCC1
InChIInChI=1S/C15H24N2O3S/c1-3-13-6-5-12(10-16)9-14(13)21(18,19)17-11-15(20-2)7-4-8-15/h5-6,9,17H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyWRNOSUFBGGUIAN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.56
Rot. Bonds7

About 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide

5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 106090964) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
PubChem CID106090964
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCC1(OC)CCC1
InChIInChI=1S/C15H24N2O3S/c1-3-13-6-5-12(10-16)9-14(13)21(18,19)17-11-15(20-2)7-4-8-15/h5-6,9,17H,3-4,7-8,10-11,16H2,1-2H3
InChIKeyWRNOSUFBGGUIAN-UHFFFAOYSA-N
XLogP1.56
TPSA81.42 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106091011
3-(aminomethyl)-N-[(1-methoxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 106091014
2-chloro-5-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001069
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106090970
2-bromo-N-[(1-methoxycyclobutyl)methyl]-5-(methylaminomethyl)benzenesulfonamide
CID 106090990
5-(aminomethyl)-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106080477
5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051201
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106091008
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080861
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide (CID 106090964) is 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide is CCc1ccc(CN)cc1S(=O)(=O)NCC1(OC)CCC1.
What is the InChIKey of 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is WRNOSUFBGGUIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-13-6-5-12(10-16)9-14(13)21(18,19)17-11-15(20-2)7-4-8-15/h5-6,9,17H,3-4,7-8,10-11,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106090964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).