4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide

C13H20N2O2S — CID 113485629

IUPAC4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NC2(C)CCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(14)11-4-6-12(7-5-11)18(16,17)15-13(2)8-3-9-13/h4-7,10,15H,3,8-9,14H2,1-2H3
InChIKeyFFJAYALEUDJVIF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.93
Rot. Bonds4

About 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide

4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 113485629) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID113485629
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NC2(C)CCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(14)11-4-6-12(7-5-11)18(16,17)15-13(2)8-3-9-13/h4-7,10,15H,3,8-9,14H2,1-2H3
InChIKeyFFJAYALEUDJVIF-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide (CID 113485629) is 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)NC2(C)CCC2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is FFJAYALEUDJVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(14)11-4-6-12(7-5-11)18(16,17)15-13(2)8-3-9-13/h4-7,10,15H,3,8-9,14H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113485629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).