N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide

C14H24N2O2S — CID 106251096

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-4-14(5-2,10-15)11-16-19(17,18)13-8-6-7-12(3)9-13/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyUEOOWWBUIQQHIQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.04
Rot. Bonds7

About N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide

N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide (PubChem CID 106251096) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide
PubChem CID106251096
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-4-14(5-2,10-15)11-16-19(17,18)13-8-6-7-12(3)9-13/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyUEOOWWBUIQQHIQ-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-3,4-difluorobenzenesulfonamide
CID 106251271
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
CID 106141735
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 103835403
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256101
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
3-hydroxy-3-methyl-4-[(3-methylphenyl)sulfonylamino]butanoic acid
CID 66001569
N-chloro-3-methylbenzenesulfonamide
CID 18672211
N-[3-(aminomethyl)-3-ethylpentyl]benzenesulfonamide
CID 173233939
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide (CID 106251096) is N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide is CCC(CC)(CN)CNS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide?
The InChIKey is UEOOWWBUIQQHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-14(5-2,10-15)11-16-19(17,18)13-8-6-7-12(3)9-13/h6-9,16H,4-5,10-11,15H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide?
N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 106251096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).