4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide

C11H20N4O2S — CID 71781100

IUPAC4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C11H20N4O2S/c1-13(2)18(16,17)15-6-3-11(4-7-15)9-14-8-5-12-10-14/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyKZZPHHCMESQDST-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.40
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide

4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 71781100) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID71781100
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C11H20N4O2S/c1-13(2)18(16,17)15-6-3-11(4-7-15)9-14-8-5-12-10-14/h5,8,10-11H,3-4,6-7,9H2,1-2H3
InChIKeyKZZPHHCMESQDST-UHFFFAOYSA-N
XLogP0.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
1-Butyl-3-methylimidazolium hydrogen sulfate
CID 11424880
1-(2-Ethylbutyl)-1H-imidazole
CID 44345907
1-Cyclohexylmethylimidazole
CID 20148465
1-Butyl-3-methylimidazolium methylsulfate
CID 12095228
4-methyl-1'-((1-methyl-1H-imidazol-2-yl)sulfonyl)-1,4'-bipiperidine
CID 118308403
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
4-[2-(2-Methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
CID 95827895
4-((2-Methyl-1H-imidazol-1-yl)methyl)piperidine
CID 25794905
4-[2-(1H-imidazol-1-yl)ethyl]piperidine
CID 13281183
Bis(trifluoromethylsulfonyl)azanide;1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]piperidine
CID 139246163
4-((1H-imidazol-1-yl)methyl)-1-(cyclopropylsulfonyl)piperidine
CID 71781104

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide (CID 71781100) is 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is KZZPHHCMESQDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-13(2)18(16,17)15-6-3-11(4-7-15)9-14-8-5-12-10-14/h5,8,10-11H,3-4,6-7,9H2,1-2H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide?
4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 71781100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).