2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide

C11H19N3O4S2 — CID 106335853

IUPAC2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C11H19N3O4S2/c1-13-19(15,16)7-6-14-20(17,18)9-11-5-3-2-4-10(11)8-12/h2-5,13-14H,6-9,12H2,1H3
InChIKeyFGPMXGCCSPPNCP-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.89
Rot. Bonds8

About 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide

2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide (PubChem CID 106335853) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
PubChem CID106335853
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C11H19N3O4S2/c1-13-19(15,16)7-6-14-20(17,18)9-11-5-3-2-4-10(11)8-12/h2-5,13-14H,6-9,12H2,1H3
InChIKeyFGPMXGCCSPPNCP-UHFFFAOYSA-N
XLogP-0.89
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)phenyl]-N-[2-[ethyl(methyl)amino]ethyl]methanesulfonamide
CID 62641813
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]ethyl carbamate
CID 83211650
4-[[2-(aminomethyl)phenyl]methylsulfonylamino]butanamide
CID 60865393
1-[2-(aminomethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62992288
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831
1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64530642
[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine
CID 64698409
1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
CID 43579028
1-[2-(aminomethyl)phenyl]-N-(1-methylcyclobutyl)methanesulfonamide
CID 113485385
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
[2-(tert-butylsulfonylmethyl)phenyl]methanamine
CID 64697384

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide (CID 106335853) is 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNS(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide?
The InChIKey is FGPMXGCCSPPNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-13-19(15,16)7-6-14-20(17,18)9-11-5-3-2-4-10(11)8-12/h2-5,13-14H,6-9,12H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide?
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide is sourced from PubChem (CID 106335853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).