N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide

C14H19N3O3S — CID 66197446

IUPACN-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O3S/c1-2-20-13-7-12(16)14(13)17-21(18,19)9-11-5-3-10(8-15)4-6-11/h3-6,12-14,17H,2,7,9,16H2,1H3
InChIKeyYMLIINYLXXFORQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.48
Rot. Bonds6

About N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide

N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 66197446) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID66197446
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O3S/c1-2-20-13-7-12(16)14(13)17-21(18,19)9-11-5-3-10(8-15)4-6-11/h3-6,12-14,17H,2,7,9,16H2,1H3
InChIKeyYMLIINYLXXFORQ-UHFFFAOYSA-N
XLogP0.48
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide
CID 66196473
N-(2-amino-4-ethoxycyclobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 66195701
4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzonitrile
CID 66197260
4-[(2-amino-4-ethoxycyclobutyl)amino]-3-nitrobenzonitrile
CID 66195148
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide
CID 66196091
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
N-(2-amino-4-ethoxycyclobutyl)-5-bromothiophene-2-sulfonamide
CID 66195315
4-[(2-amino-4-ethoxycyclobutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 66195914
N-(2-amino-4-ethoxycyclobutyl)pyrrolidine-1-sulfonamide
CID 66197438
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
N-(2-amino-4-ethoxycyclobutyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 66197056

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide (CID 66197446) is N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide is CCOC1CC(N)C1NS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is YMLIINYLXXFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-20-13-7-12(16)14(13)17-21(18,19)9-11-5-3-10(8-15)4-6-11/h3-6,12-14,17H,2,7,9,16H2,1H3.
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide?
N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 66197446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).