5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide

C14H24N2O2S2 — CID 106080192

IUPAC5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NC(C)CCSC
InChIInChI=1S/C14H24N2O2S2/c1-4-13-6-5-12(10-15)9-14(13)20(17,18)16-11(2)7-8-19-3/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3
InChIKeyNBUFHFHHMOOFFR-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.13
Rot. Bonds8

About 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide

5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide (PubChem CID 106080192) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
PubChem CID106080192
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NC(C)CCSC
InChIInChI=1S/C14H24N2O2S2/c1-4-13-6-5-12(10-15)9-14(13)20(17,18)16-11(2)7-8-19-3/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3
InChIKeyNBUFHFHHMOOFFR-UHFFFAOYSA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

5-(aminomethyl)-2,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080287
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
2-ethyl-5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079789
5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 106046490
4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 114142109
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080861
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2,3-difluorobenzenesulfonamide
CID 106084642

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide (CID 106080192) is 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide is CCc1ccc(CN)cc1S(=O)(=O)NC(C)CCSC.
What is the InChIKey of 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide?
The InChIKey is NBUFHFHHMOOFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-13-6-5-12(10-15)9-14(13)20(17,18)16-11(2)7-8-19-3/h5-6,9,11,16H,4,7-8,10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide?
5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.13, 8 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-(4-methylsulfanylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106080192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).