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

C13H20N2O2S — CID 43298854

IUPAC4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(14)12-5-7-13(8-6-12)18(16,17)15-9-11-3-2-4-11/h5-8,10-11,15H,2-4,9,14H2,1H3
InChIKeyBTHYXUBTJLNHCT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.78
Rot. Bonds5

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

4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide (PubChem CID 43298854) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
PubChem CID43298854
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(14)12-5-7-13(8-6-12)18(16,17)15-9-11-3-2-4-11/h5-8,10-11,15H,2-4,9,14H2,1H3
InChIKeyBTHYXUBTJLNHCT-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506803
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 1448139
4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide
CID 106024417
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
2-[4-(cyclobutylmethylsulfamoyl)phenyl]ethanethioamide
CID 79184823

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide (CID 43298854) is 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)NCC2CCC2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide?
The InChIKey is BTHYXUBTJLNHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(14)12-5-7-13(8-6-12)18(16,17)15-9-11-3-2-4-11/h5-8,10-11,15H,2-4,9,14H2,1H3.
What are the key properties of 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide is sourced from PubChem (CID 43298854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).