N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide

C11H15N5O2S — CID 79373884

IUPACN-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2cc(C)c(N)cn2)c1
InChIInChI=1S/C11H15N5O2S/c1-3-16-6-11(14-7-16)19(17,18)15-10-4-8(2)9(12)5-13-10/h4-7H,3,12H2,1-2H3,(H,13,15)
InChIKeyFRTJGYGDQHIUKC-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.99
Rot. Bonds4

About N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide

N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide (PubChem CID 79373884) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide
PubChem CID79373884
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2cc(C)c(N)cn2)c1
InChIInChI=1S/C11H15N5O2S/c1-3-16-6-11(14-7-16)19(17,18)15-10-4-8(2)9(12)5-13-10/h4-7H,3,12H2,1-2H3,(H,13,15)
InChIKeyFRTJGYGDQHIUKC-UHFFFAOYSA-N
XLogP0.99
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide (CID 79373884) is N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2cc(C)c(N)cn2)c1.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is FRTJGYGDQHIUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-3-16-6-11(14-7-16)19(17,18)15-10-4-8(2)9(12)5-13-10/h4-7H,3,12H2,1-2H3,(H,13,15).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide?
N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79373884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).