2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine

C18H20N2O2S — CID 71032491

IUPAC2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine
SMILESCc1cccc(C=C2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H20N2O2S/c1-15-6-5-7-17(19-15)14-16-10-12-20(13-11-16)23(21,22)18-8-3-2-4-9-18/h2-9,14H,10-13H2,1H3
InChIKeyIQSLCHKONAOMDS-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.26
Rot. Bonds3

About 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine

2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine (PubChem CID 71032491) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine
PubChem CID71032491
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine
SMILESCc1cccc(C=C2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H20N2O2S/c1-15-6-5-7-17(19-15)14-16-10-12-20(13-11-16)23(21,22)18-8-3-2-4-9-18/h2-9,14H,10-13H2,1H3
InChIKeyIQSLCHKONAOMDS-UHFFFAOYSA-N
XLogP3.26
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 44723360
4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3716411
1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3264362
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone
CID 55339510
[[1-(benzenesulfonyl)piperidin-4-ylidene]amino] methanesulfonate
CID 2765901

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine?
The IUPAC name of 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine (CID 71032491) is 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine is Cc1cccc(C=C2CCN(S(=O)(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine?
The InChIKey is IQSLCHKONAOMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-15-6-5-7-17(19-15)14-16-10-12-20(13-11-16)23(21,22)18-8-3-2-4-9-18/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine?
2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine has a molecular weight of 328.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(benzenesulfonyl)piperidin-4-ylidene]methyl]-6-methylpyridine is sourced from PubChem (CID 71032491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).