N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide

C13H22N4O2S — CID 62066433

IUPACN-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C#N)(CC)CC)nc1C
InChIInChI=1S/C13H22N4O2S/c1-5-8-17-9-12(15-11(17)4)20(18,19)16-13(6-2,7-3)10-14/h9,16H,5-8H2,1-4H3
InChIKeyXYVWCIIRAZPBOH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.96
Rot. Bonds7

About N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 62066433) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID62066433
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C#N)(CC)CC)nc1C
InChIInChI=1S/C13H22N4O2S/c1-5-8-17-9-12(15-11(17)4)20(18,19)16-13(6-2,7-3)10-14/h9,16H,5-8H2,1-4H3
InChIKeyXYVWCIIRAZPBOH-UHFFFAOYSA-N
XLogP1.96
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62064623
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
N-(4-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066063
2-methyl-N-(2-methylpropoxy)-1-propylimidazole-4-sulfonamide
CID 82714897
N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 65098956
N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 106210109

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 62066433) is N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC(C#N)(CC)CC)nc1C.
What is the InChIKey of N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is XYVWCIIRAZPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-5-8-17-9-12(15-11(17)4)20(18,19)16-13(6-2,7-3)10-14/h9,16H,5-8H2,1-4H3.
What are the key properties of N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62066433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).