3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide

C15H24N2O2S — CID 107406972

IUPAC3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC2(C)CCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-4-11-9-13(16)12(5-2)14(10-11)20(18,19)17-15(3)7-6-8-15/h9-10,17H,4-8,16H2,1-3H3
InChIKeyJGGMGHFNTSGQAZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide

3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 107406972) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID107406972
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC2(C)CCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-4-11-9-13(16)12(5-2)14(10-11)20(18,19)17-15(3)7-6-8-15/h9-10,17H,4-8,16H2,1-3H3
InChIKeyJGGMGHFNTSGQAZ-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 107407018
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
3-amino-N-(2-cyclobutylethyl)-2,5-diethylbenzenesulfonamide
CID 107406958
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
3-amino-2,5-diethyl-N-(thian-3-yl)benzenesulfonamide
CID 107407005
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919
3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 107407022
3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 107407116
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide (CID 107406972) is 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)NC2(C)CCC2)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is JGGMGHFNTSGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-11-9-13(16)12(5-2)14(10-11)20(18,19)17-15(3)7-6-8-15/h9-10,17H,4-8,16H2,1-3H3.
What are the key properties of 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide?
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 107406972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).