N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide

C10H20N4O2S — CID 106251055

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H20N4O2S/c1-3-10(4-2,6-11)7-14-17(15,16)9-5-12-8-13-9/h5,8,14H,3-4,6-7,11H2,1-2H3,(H,12,13)
InChIKeyZYXIEZPEKVZVQK-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.45
Rot. Bonds7

About N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide

N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide (PubChem CID 106251055) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
PubChem CID106251055
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
SMILESCCC(CC)(CN)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H20N4O2S/c1-3-10(4-2,6-11)7-14-17(15,16)9-5-12-8-13-9/h5,8,14H,3-4,6-7,11H2,1-2H3,(H,12,13)
InChIKeyZYXIEZPEKVZVQK-UHFFFAOYSA-N
XLogP0.45
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
CID 103835702
3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide
CID 103824162
N-(2-amino-3-ethylpentyl)-1H-imidazole-5-sulfonamide
CID 114168541
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid
CID 79806947
N-[[1-(aminomethyl)cyclopentyl]methyl]-1H-imidazole-5-sulfonamide
CID 113295210
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
CID 113414965

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide (CID 106251055) is N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide is CCC(CC)(CN)CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide?
The InChIKey is ZYXIEZPEKVZVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-10(4-2,6-11)7-14-17(15,16)9-5-12-8-13-9/h5,8,14H,3-4,6-7,11H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide?
N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 106251055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).