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

C10H20N4O2S — CID 119973176

IUPACN-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide
SMILESCNCCNS(=O)(=O)c1cn(CC(C)C)cn1
InChIInChI=1S/C10H20N4O2S/c1-9(2)6-14-7-10(12-8-14)17(15,16)13-5-4-11-3/h7-9,11,13H,4-6H2,1-3H3
InChIKeyVEGOETLIRACYEU-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.04
Rot. Bonds7

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

N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide (PubChem CID 119973176) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide
PubChem CID119973176
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide
SMILESCNCCNS(=O)(=O)c1cn(CC(C)C)cn1
InChIInChI=1S/C10H20N4O2S/c1-9(2)6-14-7-10(12-8-14)17(15,16)13-5-4-11-3/h7-9,11,13H,4-6H2,1-3H3
InChIKeyVEGOETLIRACYEU-UHFFFAOYSA-N
XLogP0.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.04
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 N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide?
The IUPAC name of N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide (CID 119973176) is N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide is CNCCNS(=O)(=O)c1cn(CC(C)C)cn1.
What is the InChIKey of N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide?
The InChIKey is VEGOETLIRACYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(2)6-14-7-10(12-8-14)17(15,16)13-5-4-11-3/h7-9,11,13H,4-6H2,1-3H3.
What are the key properties of N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide?
N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 119973176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).