1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide

C13H23N3O2S — CID 62641813

IUPAC1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide
SMILESCCN(C)CCNS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C13H23N3O2S/c1-3-16(2)9-8-15-19(17,18)11-13-7-5-4-6-12(13)10-14/h4-7,15H,3,8-11,14H2,1-2H3
InChIKeyORRMZQMHVRWXRA-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.52
Rot. Bonds8

About 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide (PubChem CID 62641813) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide
PubChem CID62641813
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide
SMILESCCN(C)CCNS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C13H23N3O2S/c1-3-16(2)9-8-15-19(17,18)11-13-7-5-4-6-12(13)10-14/h4-7,15H,3,8-11,14H2,1-2H3
InChIKeyORRMZQMHVRWXRA-UHFFFAOYSA-N
XLogP0.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
CID 106335853
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]ethyl carbamate
CID 83211650
4-[[2-(aminomethyl)phenyl]methylsulfonylamino]butanamide
CID 60865393
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831
N-[2-[ethyl(methyl)amino]ethyl]-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106055972
1-[2-(aminomethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62992288
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 95309064
1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879483
2-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106055884
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxyethanesulfonamide
CID 79579543
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide (CID 62641813) is 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide is CCN(C)CCNS(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide?
The InChIKey is ORRMZQMHVRWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-16(2)9-8-15-19(17,18)11-13-7-5-4-6-12(13)10-14/h4-7,15H,3,8-11,14H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 62641813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).