4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine

C10H17N3O2S — CID 95982272

IUPAC4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C10H17N3O2S/c1-16(14,15)13-5-2-10(3-6-13)8-12-7-4-11-9-12/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyAECPVQWWFOMCEF-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.55
Rot. Bonds3

About 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine

4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine (PubChem CID 95982272) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
PubChem CID95982272
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C10H17N3O2S/c1-16(14,15)13-5-2-10(3-6-13)8-12-7-4-11-9-12/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyAECPVQWWFOMCEF-UHFFFAOYSA-N
XLogP0.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 90493883
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493930
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
methyl 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylbenzoate
CID 90493933
1-(cyclooctylmethyl)imidazole
CID 20550238
1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 90493899
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine (CID 95982272) is 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine?
The InChIKey is AECPVQWWFOMCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-16(14,15)13-5-2-10(3-6-13)8-12-7-4-11-9-12/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine?
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine has a molecular weight of 243.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 95982272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).