N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide

C14H22N2O3S — CID 66196091

IUPACN-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O3S/c1-4-19-13-8-12(15)14(13)16-20(17,18)11-6-9(2)5-10(3)7-11/h5-7,12-14,16H,4,8,15H2,1-3H3
InChIKeyMPIXERPKFBNCOA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.09
Rot. Bonds5

About N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide

N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 66196091) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide
PubChem CID66196091
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide
SMILESCCOC1CC(N)C1NS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O3S/c1-4-19-13-8-12(15)14(13)16-20(17,18)11-6-9(2)5-10(3)7-11/h5-7,12-14,16H,4,8,15H2,1-3H3
InChIKeyMPIXERPKFBNCOA-UHFFFAOYSA-N
XLogP1.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide (CID 66196091) is N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide is CCOC1CC(N)C1NS(=O)(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is MPIXERPKFBNCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-19-13-8-12(15)14(13)16-20(17,18)11-6-9(2)5-10(3)7-11/h5-7,12-14,16H,4,8,15H2,1-3H3.
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide?
N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 66196091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).