1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide

C12H16N4O2S — CID 64530642

IUPAC1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
SMILESNCc1ccccc1CS(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H16N4O2S/c13-7-10-3-1-2-4-11(10)9-19(17,18)16-8-12-14-5-6-15-12/h1-6,16H,7-9,13H2,(H,14,15)
InChIKeyOZCHZKWPVQZBNO-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.49
Rot. Bonds6

About 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide (PubChem CID 64530642) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
PubChem CID64530642
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
SMILESNCc1ccccc1CS(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H16N4O2S/c13-7-10-3-1-2-4-11(10)9-19(17,18)16-8-12-14-5-6-15-12/h1-6,16H,7-9,13H2,(H,14,15)
InChIKeyOZCHZKWPVQZBNO-UHFFFAOYSA-N
XLogP0.49
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
1-cyano-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64529391
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 110725753
2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069257
2-(4-aminophenoxy)-N-(1H-imidazol-2-ylmethyl)ethanesulfonamide
CID 64518005
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069321
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525744
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069348
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
CID 106335853
2-[(dimethylsulfamoylamino)methyl]-1H-imidazole
CID 64532113
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide (CID 64530642) is 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide is NCc1ccccc1CS(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
The InChIKey is OZCHZKWPVQZBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-7-10-3-1-2-4-11(10)9-19(17,18)16-8-12-14-5-6-15-12/h1-6,16H,7-9,13H2,(H,14,15).
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 64530642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).