1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide

C9H18N4O2S — CID 62657789

IUPAC1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCNC)nc1C
InChIInChI=1S/C9H18N4O2S/c1-4-13-7-9(12-8(13)2)16(14,15)11-6-5-10-3/h7,10-11H,4-6H2,1-3H3
InChIKeyZPIQJKXWYZOKHW-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.29
Rot. Bonds6

About 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide (PubChem CID 62657789) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
PubChem CID62657789
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCNC)nc1C
InChIInChI=1S/C9H18N4O2S/c1-4-13-7-9(12-8(13)2)16(14,15)11-6-5-10-3/h7,10-11H,4-6H2,1-3H3
InChIKeyZPIQJKXWYZOKHW-UHFFFAOYSA-N
XLogP-0.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide (CID 62657789) is 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCNC)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide?
The InChIKey is ZPIQJKXWYZOKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-4-13-7-9(12-8(13)2)16(14,15)11-6-5-10-3/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 62657789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).