5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 106031396

IUPAC5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NC(C)(C)CC
InChIInChI=1S/C14H24N2O2S/c1-5-12-8-7-11(10-15)9-13(12)19(17,18)16-14(3,4)6-2/h7-9,16H,5-6,10,15H2,1-4H3
InChIKeyVNPKVCUPRGEFPF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.17
Rot. Bonds6

About 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide

5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106031396) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID106031396
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NC(C)(C)CC
InChIInChI=1S/C14H24N2O2S/c1-5-12-8-7-11(10-15)9-13(12)19(17,18)16-14(3,4)6-2/h7-9,16H,5-6,10,15H2,1-4H3
InChIKeyVNPKVCUPRGEFPF-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031342
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080861
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088022
5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080192
5-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 106051201
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
5-(aminomethyl)-2-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063130

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 106031396) is 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCc1ccc(CN)cc1S(=O)(=O)NC(C)(C)CC.
What is the InChIKey of 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is VNPKVCUPRGEFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-12-8-7-11(10-15)9-13(12)19(17,18)16-14(3,4)6-2/h7-9,16H,5-6,10,15H2,1-4H3.
What are the key properties of 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).