[6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C20H24N2OS — CID 11988908

IUPAC[6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1SCc1cccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C20H24N2OS/c1-15-10-12-22(13-11-15)20(23)18-8-5-7-17(21-18)14-24-19-9-4-3-6-16(19)2/h3-9,15H,10-14H2,1-2H3
InChIKeyUANVUHXBVHNVLF-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.55
Rot. Bonds4

About [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 11988908) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID11988908
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name[6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1SCc1cccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C20H24N2OS/c1-15-10-12-22(13-11-15)20(23)18-8-5-7-17(21-18)14-24-19-9-4-3-6-16(19)2/h3-9,15H,10-14H2,1-2H3
InChIKeyUANVUHXBVHNVLF-UHFFFAOYSA-N
XLogP4.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 11988908) is [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is Cc1ccccc1SCc1cccc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UANVUHXBVHNVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15-10-12-22(13-11-15)20(23)18-8-5-7-17(21-18)14-24-19-9-4-3-6-16(19)2/h3-9,15H,10-14H2,1-2H3.
What are the key properties of [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 340.49 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 11988908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).