5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide

C8H14N4O2S — CID 114615039

IUPAC5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H14N4O2S/c1-6(2)4-11-15(13,14)8-7(9)10-5-12(8)3/h5,11H,1,4,9H2,2-3H3
InChIKeyVBHYLNXUNOUVKD-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.14
Rot. Bonds4

About 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide

5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide (PubChem CID 114615039) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide
PubChem CID114615039
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H14N4O2S/c1-6(2)4-11-15(13,14)8-7(9)10-5-12(8)3/h5,11H,1,4,9H2,2-3H3
InChIKeyVBHYLNXUNOUVKD-UHFFFAOYSA-N
XLogP-0.14
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1-methyl-1H-imidazole-5-sulfonamide
CID 279492
5-Amino-3-methylimidazole-4-sulfonamide;hydrochloride
CID 54599459
5-amino-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63977922
5-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979466
5-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979844
5-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63979848
5-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 63980049
5-amino-3-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
CID 64007786
5-amino-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 64009822
5-amino-N,3-dimethyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
CID 65535747
5-amino-3-methyl-N-(4,4,4-trifluorobutan-2-yl)imidazole-4-sulfonamide
CID 105926815
5-amino-3-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 113326670

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide (CID 114615039) is 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide is C=C(C)CNS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide?
The InChIKey is VBHYLNXUNOUVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6(2)4-11-15(13,14)8-7(9)10-5-12(8)3/h5,11H,1,4,9H2,2-3H3.
What are the key properties of 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-(2-methylprop-2-enyl)imidazole-4-sulfonamide is sourced from PubChem (CID 114615039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).