N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide

C10H20N4O2S — CID 115752601

IUPACN-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCCC(N)CNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H20N4O2S/c1-4-5-9(11)6-12-17(15,16)10-7-14(3)8(2)13-10/h7,9,12H,4-6,11H2,1-3H3
InChIKeyXUAGREAVHLJLJP-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.13
Rot. Bonds6

About N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide

N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 115752601) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID115752601
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCCCC(N)CNS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C10H20N4O2S/c1-4-5-9(11)6-12-17(15,16)10-7-14(3)8(2)13-10/h7,9,12H,4-6,11H2,1-3H3
InChIKeyXUAGREAVHLJLJP-UHFFFAOYSA-N
XLogP0.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1,2-dimethylimidazole-4-sulfonamide
CID 83031032
N-(3-ethyl-2-hydroxypentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103835178
N-(4-hydroxy-2-methylbutyl)-1,2-dimethylimidazole-4-sulfonamide
CID 66108004
N-(3-amino-4-methoxybutyl)-1,2-dimethylimidazole-4-sulfonamide
CID 114163160
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 66167715
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-2-methylpropanoic acid
CID 62675545
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 62061405
N-(2-hydroxy-4,4-dimethylheptyl)-1,2-dimethylimidazole-4-sulfonamide
CID 130410993
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
N-(2-chloro-2-phenylethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 65033120
N-(2-bromo-2-phenylethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 114295516
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide (CID 115752601) is N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide is CCCC(N)CNS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is XUAGREAVHLJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-5-9(11)6-12-17(15,16)10-7-14(3)8(2)13-10/h7,9,12H,4-6,11H2,1-3H3.
What are the key properties of N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 115752601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).