2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

C12H20N2O3S — CID 54947074

IUPAC2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C12H20N2O3S/c1-10(9-17-3)14(2)18(15,16)12-7-5-4-6-11(12)8-13/h4-7,10H,8-9,13H2,1-3H3
InChIKeyYQUKRWAFGNAOKU-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.80
Rot. Bonds6

About 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 54947074) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID54947074
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccccc1CN
InChIInChI=1S/C12H20N2O3S/c1-10(9-17-3)14(2)18(15,16)12-7-5-4-6-11(12)8-13/h4-7,10H,8-9,13H2,1-3H3
InChIKeyYQUKRWAFGNAOKU-UHFFFAOYSA-N
XLogP0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide 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

2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61116591
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
2-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455868
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199
4-(1-aminoethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61452492
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 61452422
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
CID 69275017
3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 81471352
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 103989122

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (CID 54947074) is 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is COCC(C)N(C)S(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is YQUKRWAFGNAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(9-17-3)14(2)18(15,16)12-7-5-4-6-11(12)8-13/h4-7,10H,8-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54947074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).