N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide

C8H16N4O2S — CID 62666691

IUPACN-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
SMILESCC(CN)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C8H16N4O2S/c1-7(3-9)4-11-15(13,14)8-5-12(2)6-10-8/h5-7,11H,3-4,9H2,1-2H3
InChIKeyFGLVROQZWJGMFI-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.71
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide

N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide (PubChem CID 62666691) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
PubChem CID62666691
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide
SMILESCC(CN)CNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C8H16N4O2S/c1-7(3-9)4-11-15(13,14)8-5-12(2)6-10-8/h5-7,11H,3-4,9H2,1-2H3
InChIKeyFGLVROQZWJGMFI-UHFFFAOYSA-N
XLogP-0.71
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide (CID 62666691) is N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide is CC(CN)CNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is FGLVROQZWJGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-7(3-9)4-11-15(13,14)8-5-12(2)6-10-8/h5-7,11H,3-4,9H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide?
N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62666691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).