3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine

C14H18N4O2S — CID 90493888

IUPAC3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C14H18N4O2S/c19-21(20,14-2-1-5-15-10-14)18-7-3-13(4-8-18)11-17-9-6-16-12-17/h1-2,5-6,9-10,12-13H,3-4,7-8,11H2
InChIKeyOZIRAHQWANITDZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.38
Rot. Bonds4

About 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine

3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine (PubChem CID 90493888) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
PubChem CID90493888
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C14H18N4O2S/c19-21(20,14-2-1-5-15-10-14)18-7-3-13(4-8-18)11-17-9-6-16-12-17/h1-2,5-6,9-10,12-13H,3-4,7-8,11H2
InChIKeyOZIRAHQWANITDZ-UHFFFAOYSA-N
XLogP1.38
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
methyl 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylbenzoate
CID 90493933
1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493930
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 90493883
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
CID 90521218
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928

Frequently Asked Questions

What is the IUPAC name of 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine (CID 90493888) is 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is OZIRAHQWANITDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,14-2-1-5-15-10-14)18-7-3-13(4-8-18)11-17-9-6-16-12-17/h1-2,5-6,9-10,12-13H,3-4,7-8,11H2.
What are the key properties of 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine?
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 306.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 90493888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).