N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide

C13H24N4O2S — CID 62064079

IUPACN,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C13H24N4O2S/c1-4-16-10-13(15-11(16)3)20(18,19)17(5-2)12-7-6-8-14-9-12/h10,12,14H,4-9H2,1-3H3
InChIKeyKTUBOYIOIWJLIK-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.97
Rot. Bonds5

About N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide

N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide (PubChem CID 62064079) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide
PubChem CID62064079
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C13H24N4O2S/c1-4-16-10-13(15-11(16)3)20(18,19)17(5-2)12-7-6-8-14-9-12/h10,12,14H,4-9H2,1-3H3
InChIKeyKTUBOYIOIWJLIK-UHFFFAOYSA-N
XLogP0.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-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

N-(2-bromoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 80669052
N-(2-aminoethyl)-N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63766954
1-ethyl-N-piperidin-3-yl-N-propylimidazole-4-sulfonamide
CID 79373627
N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55030771
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 60806038
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
2-methyl-N-(piperidin-3-ylmethyl)-1-propylimidazole-4-sulfonamide
CID 62066613
N-(dimethylsulfamoyl)-N-ethylpiperidin-3-amine
CID 60807042
N-ethyl-N-piperidin-3-ylpyrrolidine-1-sulfonamide
CID 60806699
N-(azetidin-3-yl)-1,2-dimethyl-N-propylimidazole-4-sulfonamide
CID 66215276

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide?
The IUPAC name of N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide (CID 62064079) is N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide.
What is the SMILES notation for N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide?
The canonical SMILES for N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide is CCN(C1CCCNC1)S(=O)(=O)c1cn(CC)c(C)n1.
What is the InChIKey of N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide?
The InChIKey is KTUBOYIOIWJLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-16-10-13(15-11(16)3)20(18,19)17(5-2)12-7-6-8-14-9-12/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide?
N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-2-methyl-N-piperidin-3-ylimidazole-4-sulfonamide is sourced from PubChem (CID 62064079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).