1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide

C14H24N6O4S2 — CID 3028825

IUPAC1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C14H24N6O4S2/c1-19-9-13(15-11-19)25(21,22)17-7-5-3-4-6-8-18-26(23,24)14-10-20(2)12-16-14/h9-12,17-18H,3-8H2,1-2H3
InChIKeySIJXIHIKZWSQSD-UHFFFAOYSA-N
MW404.52 g/mol
LogP-0.03
Rot. Bonds11

About 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide

1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide (PubChem CID 3028825) has the molecular formula C14H24N6O4S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide
PubChem CID3028825
Molecular FormulaC14H24N6O4S2
Molecular Weight404.52 g/mol
Exact Mass404.13
IUPAC Name1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C14H24N6O4S2/c1-19-9-13(15-11-19)25(21,22)17-7-5-3-4-6-8-18-26(23,24)14-10-20(2)12-16-14/h9-12,17-18H,3-8H2,1-2H3
InChIKeySIJXIHIKZWSQSD-UHFFFAOYSA-N
XLogP-0.03
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide (CID 3028825) is 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide?
The InChIKey is SIJXIHIKZWSQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O4S2/c1-19-9-13(15-11-19)25(21,22)17-7-5-3-4-6-8-18-26(23,24)14-10-20(2)12-16-14/h9-12,17-18H,3-8H2,1-2H3.
What are the key properties of 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide?
1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide has a molecular weight of 404.52 g/mol, XLogP of -0.03, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-[(1-methylimidazol-4-yl)sulfonylamino]hexyl]imidazole-4-sulfonamide is sourced from PubChem (CID 3028825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).