N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide

C13H24N4O2S — CID 119965904

IUPACN-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide
SMILESCC(C)Cn1cnc(S(=O)(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C13H24N4O2S/c1-11(2)8-17-9-13(15-10-17)20(18,19)16(3)12-4-6-14-7-5-12/h9-12,14H,4-8H2,1-3H3
InChIKeyPHACFQLNYVXFNC-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.91
Rot. Bonds5

About N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide

N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide (PubChem CID 119965904) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide
PubChem CID119965904
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide
SMILESCC(C)Cn1cnc(S(=O)(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C13H24N4O2S/c1-11(2)8-17-9-13(15-10-17)20(18,19)16(3)12-4-6-14-7-5-12/h9-12,14H,4-8H2,1-3H3
InChIKeyPHACFQLNYVXFNC-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(2-methylpropyl)-N-piperidin-4-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

1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine
CID 6621960
1-(1H-imidazol-5-ylsulfonyl)-3-methylpiperidine
CID 20856396
1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-
CID 3071470
4-methyl-1'-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1,4'-bipiperidine
CID 118308389
4-methyl-1'-((1-methyl-1H-imidazol-2-yl)sulfonyl)-1,4'-bipiperidine
CID 118308403
N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53007816
1H-Imidazole-4-sulfonamide, 1-methyl-N-(2-methyl-3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071450
1-(1H-imidazole-4-sulfonyl)piperidine
CID 6619508
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide?
The IUPAC name of N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide (CID 119965904) is N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide is CC(C)Cn1cnc(S(=O)(=O)N(C)C2CCNCC2)c1.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide?
The InChIKey is PHACFQLNYVXFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(2)8-17-9-13(15-10-17)20(18,19)16(3)12-4-6-14-7-5-12/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide?
N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide is sourced from PubChem (CID 119965904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).