4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide

C17H24N4O2S — CID 70743543

IUPAC4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-19(2)24(22,23)21-11-8-16(9-12-21)17-18-10-13-20(17)14-15-6-4-3-5-7-15/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3
InChIKeyUECIBKWQVBMDRB-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.92
Rot. Bonds5

About 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide

4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 70743543) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID70743543
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-19(2)24(22,23)21-11-8-16(9-12-21)17-18-10-13-20(17)14-15-6-4-3-5-7-15/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3
InChIKeyUECIBKWQVBMDRB-UHFFFAOYSA-N
XLogP1.92
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 70780194
(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 97151933
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 72900369
N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide
CID 23607692
4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
CID 56982556
[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3474945
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70712835
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 20930287

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide (CID 70743543) is 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is UECIBKWQVBMDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-19(2)24(22,23)21-11-8-16(9-12-21)17-18-10-13-20(17)14-15-6-4-3-5-7-15/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3.
What are the key properties of 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide?
4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 70743543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).