2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine

C16H21N3O3S — CID 56918990

IUPAC2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCOc1cccc(C2CCCCN2S(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C16H21N3O3S/c1-18-11-16(17-12-18)23(20,21)19-9-4-3-8-15(19)13-6-5-7-14(10-13)22-2/h5-7,10-12,15H,3-4,8-9H2,1-2H3
InChIKeyAUPVBAMUNPSSQZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.34
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine

2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine (PubChem CID 56918990) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
PubChem CID56918990
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
SMILESCOc1cccc(C2CCCCN2S(=O)(=O)c2cn(C)cn2)c1
InChIInChI=1S/C16H21N3O3S/c1-18-11-16(17-12-18)23(20,21)19-9-4-3-8-15(19)13-6-5-7-14(10-13)22-2/h5-7,10-12,15H,3-4,8-9H2,1-2H3
InChIKeyAUPVBAMUNPSSQZ-UHFFFAOYSA-N
XLogP2.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818489
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine
CID 95710602
2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 53096130
(2S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)sulfonylazepane
CID 95078943
5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124979504
1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 87052108
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The IUPAC name of 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine (CID 56918990) is 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine is COc1cccc(C2CCCCN2S(=O)(=O)c2cn(C)cn2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
The InChIKey is AUPVBAMUNPSSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-18-11-16(17-12-18)23(20,21)19-9-4-3-8-15(19)13-6-5-7-14(10-13)22-2/h5-7,10-12,15H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine?
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine has a molecular weight of 335.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 56918990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).