N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide

C12H23N3O2S — CID 91911724

IUPACN-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCn1c(C)cnc1CCNS(=O)(=O)CCC
InChIInChI=1S/C12H23N3O2S/c1-4-8-15-11(3)10-13-12(15)6-7-14-18(16,17)9-5-2/h10,14H,4-9H2,1-3H3
InChIKeyIQTSJYIETQWRAQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.47
Rot. Bonds8

About N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide

N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 91911724) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide
PubChem CID91911724
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCn1c(C)cnc1CCNS(=O)(=O)CCC
InChIInChI=1S/C12H23N3O2S/c1-4-8-15-11(3)10-13-12(15)6-7-14-18(16,17)9-5-2/h10,14H,4-9H2,1-3H3
InChIKeyIQTSJYIETQWRAQ-UHFFFAOYSA-N
XLogP1.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide (CID 91911724) is N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide is CCCn1c(C)cnc1CCNS(=O)(=O)CCC.
What is the InChIKey of N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is IQTSJYIETQWRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-8-15-11(3)10-13-12(15)6-7-14-18(16,17)9-5-2/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide?
N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1-propylimidazol-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 91911724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).