5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide

C14H24N2O2S2 — CID 106080861

IUPAC5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCC(C)(C)SC
InChIInChI=1S/C14H24N2O2S2/c1-5-12-7-6-11(9-15)8-13(12)20(17,18)16-10-14(2,3)19-4/h6-8,16H,5,9-10,15H2,1-4H3
InChIKeyFQNOYAACHKFNAX-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.13
Rot. Bonds7

About 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide

5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 106080861) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
PubChem CID106080861
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCC(C)(C)SC
InChIInChI=1S/C14H24N2O2S2/c1-5-12-7-6-11(9-15)8-13(12)20(17,18)16-10-14(2,3)19-4/h6-8,16H,5,9-10,15H2,1-4H3
InChIKeyFQNOYAACHKFNAX-UHFFFAOYSA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080886
5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080192
5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051201
4-(3-aminopropyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080854
5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106090964
5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054562
5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383991
5-(aminomethyl)-2-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106016248
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide (CID 106080861) is 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide is CCc1ccc(CN)cc1S(=O)(=O)NCC(C)(C)SC.
What is the InChIKey of 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is FQNOYAACHKFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-5-12-7-6-11(9-15)8-13(12)20(17,18)16-10-14(2,3)19-4/h6-8,16H,5,9-10,15H2,1-4H3.
What are the key properties of 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide?
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 106080861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).