N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide

C12H17N5O2S — CID 63062952

IUPACN-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccncc2N)nc1C
InChIInChI=1S/C12H17N5O2S/c1-3-6-17-8-12(15-9(17)2)20(18,19)16-11-4-5-14-7-10(11)13/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyOZHBFDRERQVUSL-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.38
Rot. Bonds5

About N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 63062952) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID63062952
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccncc2N)nc1C
InChIInChI=1S/C12H17N5O2S/c1-3-6-17-8-12(15-9(17)2)20(18,19)16-11-4-5-14-7-10(11)13/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,16)
InChIKeyOZHBFDRERQVUSL-UHFFFAOYSA-N
XLogP1.38
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066063
N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63676566
N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066439
N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62062819
N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 104821178
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 65098956
N-(3-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066248
N-(2-amino-5-methoxyphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63258965
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 63062952) is N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccncc2N)nc1C.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is OZHBFDRERQVUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-6-17-8-12(15-9(17)2)20(18,19)16-11-4-5-14-7-10(11)13/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,16).
What are the key properties of N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 63062952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).