N-(5-methylhexyl)-1H-imidazole-5-sulfonamide

C10H19N3O2S — CID 79002686

IUPACN-(5-methylhexyl)-1H-imidazole-5-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H19N3O2S/c1-9(2)5-3-4-6-13-16(14,15)10-7-11-8-12-10/h7-9,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyMEGWXPHWZCNBRZ-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.51
Rot. Bonds7

About N-(5-methylhexyl)-1H-imidazole-5-sulfonamide

N-(5-methylhexyl)-1H-imidazole-5-sulfonamide (PubChem CID 79002686) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(5-methylhexyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexyl)-1H-imidazole-5-sulfonamide
PubChem CID79002686
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(5-methylhexyl)-1H-imidazole-5-sulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H19N3O2S/c1-9(2)5-3-4-6-13-16(14,15)10-7-11-8-12-10/h7-9,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyMEGWXPHWZCNBRZ-UHFFFAOYSA-N
XLogP1.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
CID 78996204
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
1-(1H-imidazol-5-ylsulfonyl)-N-methylmethanamine
CID 161081196

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(5-methylhexyl)-1H-imidazole-5-sulfonamide (CID 79002686) is N-(5-methylhexyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(5-methylhexyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(5-methylhexyl)-1H-imidazole-5-sulfonamide is CC(C)CCCCNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(5-methylhexyl)-1H-imidazole-5-sulfonamide?
The InChIKey is MEGWXPHWZCNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2)5-3-4-6-13-16(14,15)10-7-11-8-12-10/h7-9,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(5-methylhexyl)-1H-imidazole-5-sulfonamide?
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 79002686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).