2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

C12H20N2O3S — CID 104759943

IUPAC2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C12H20N2O3S/c1-12(2,17-3)9-14-18(15,16)11-7-5-4-6-10(11)8-13/h4-7,14H,8-9,13H2,1-3H3
InChIKeyZEGCVGKKJYFWHG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.85
Rot. Bonds6

About 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 104759943) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID104759943
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C12H20N2O3S/c1-12(2,17-3)9-14-18(15,16)11-7-5-4-6-10(11)8-13/h4-7,14H,8-9,13H2,1-3H3
InChIKeyZEGCVGKKJYFWHG-UHFFFAOYSA-N
XLogP0.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-5-sulfonamide
CID 114142090
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 16782068
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335927
2-(aminomethyl)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066338
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 104759943) is 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is ZEGCVGKKJYFWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2,17-3)9-14-18(15,16)11-7-5-4-6-10(11)8-13/h4-7,14H,8-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 104759943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).