N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine

C8H15N3O2S — CID 60919035

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
SMILESCn1ccnc1CNCCS(C)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-11-5-3-10-8(11)7-9-4-6-14(2,12)13/h3,5,9H,4,6-7H2,1-2H3
InChIKeyMOEBTEOWLXIBLS-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.45
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine (PubChem CID 60919035) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
PubChem CID60919035
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
SMILESCn1ccnc1CNCCS(C)(=O)=O
InChIInChI=1S/C8H15N3O2S/c1-11-5-3-10-8(11)7-9-4-6-14(2,12)13/h3,5,9H,4,6-7H2,1-2H3
InChIKeyMOEBTEOWLXIBLS-UHFFFAOYSA-N
XLogP-0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293643
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293807
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711772
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544
N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 62351352
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine (CID 60919035) is N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine is Cn1ccnc1CNCCS(C)(=O)=O.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine?
The InChIKey is MOEBTEOWLXIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-11-5-3-10-8(11)7-9-4-6-14(2,12)13/h3,5,9H,4,6-7H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine?
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine has a molecular weight of 217.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 60919035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).