1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide

C13H18N4O2S — CID 63293761

IUPAC1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide
SMILESCn1ccnc1CNS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C13H18N4O2S/c1-17-7-6-15-13(17)9-16-20(18,19)10-12-4-2-11(8-14)3-5-12/h2-7,16H,8-10,14H2,1H3
InChIKeyPVZOSHJIEWDTOD-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.50
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide (PubChem CID 63293761) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide
PubChem CID63293761
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide
SMILESCn1ccnc1CNS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C13H18N4O2S/c1-17-7-6-15-13(17)9-16-20(18,19)10-12-4-2-11(8-14)3-5-12/h2-7,16H,8-10,14H2,1H3
InChIKeyPVZOSHJIEWDTOD-UHFFFAOYSA-N
XLogP0.50
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293807
2-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293643
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106062510
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
1-[4-(aminomethyl)phenyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 115989498
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
1-[4-(aminomethyl)phenyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 63330283
5-(aminomethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106062569
1-[4-(aminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60807993
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
4-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-sulfonamide
CID 106062465

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide (CID 63293761) is 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide is Cn1ccnc1CNS(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide?
The InChIKey is PVZOSHJIEWDTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-17-7-6-15-13(17)9-16-20(18,19)10-12-4-2-11(8-14)3-5-12/h2-7,16H,8-10,14H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 63293761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).