2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide

C7H14N4O2S — CID 63293807

IUPAC2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
SMILESCn1ccnc1CNS(=O)(=O)CCN
InChIInChI=1S/C7H14N4O2S/c1-11-4-3-9-7(11)6-10-14(12,13)5-2-8/h3-4,10H,2,5-6,8H2,1H3
InChIKeyFEAQKCKUFSTIGV-UHFFFAOYSA-N
MW218.28 g/mol
LogP-1.20
Rot. Bonds5

About 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide

2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide (PubChem CID 63293807) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
PubChem CID63293807
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
SMILESCn1ccnc1CNS(=O)(=O)CCN
InChIInChI=1S/C7H14N4O2S/c1-11-4-3-9-7(11)6-10-14(12,13)5-2-8/h3-4,10H,2,5-6,8H2,1H3
InChIKeyFEAQKCKUFSTIGV-UHFFFAOYSA-N
XLogP-1.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293643
1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 63293761
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
4-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-sulfonamide
CID 106062465
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106062510
2-[(1-methylimidazol-2-yl)methylsulfamoyl]propanoic acid
CID 63293623
2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110446025
5-(aminomethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106062569
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 107328926

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide (CID 63293807) is 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide is Cn1ccnc1CNS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
The InChIKey is FEAQKCKUFSTIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-11-4-3-9-7(11)6-10-14(12,13)5-2-8/h3-4,10H,2,5-6,8H2,1H3.
What are the key properties of 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide?
2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide has a molecular weight of 218.28 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 63293807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).