5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide

C8H16N4O2S — CID 63978496

IUPAC5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O2S/c1-4-5-12(3)15(13,14)8-7(9)10-6-11(8)2/h6H,4-5,9H2,1-3H3
InChIKeyAYKYXNCESYXRKY-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.03
Rot. Bonds4

About 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide

5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide (PubChem CID 63978496) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide
PubChem CID63978496
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C8H16N4O2S/c1-4-5-12(3)15(13,14)8-7(9)10-6-11(8)2/h6H,4-5,9H2,1-3H3
InChIKeyAYKYXNCESYXRKY-UHFFFAOYSA-N
XLogP0.03
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide (CID 63978496) is 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide is CCCN(C)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide?
The InChIKey is AYKYXNCESYXRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-4-5-12(3)15(13,14)8-7(9)10-6-11(8)2/h6H,4-5,9H2,1-3H3.
What are the key properties of 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide?
5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,3-dimethyl-N-propylimidazole-4-sulfonamide is sourced from PubChem (CID 63978496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).