[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C21H26N2OS — CID 58211130

IUPAC[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C)c1SCc1cccc(C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C21H26N2OS/c1-15-7-6-12-23(13-15)21(24)19-11-5-10-18(22-19)14-25-20-16(2)8-4-9-17(20)3/h4-5,8-11,15H,6-7,12-14H2,1-3H3
InChIKeyZWMHHLLZNGYFKL-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.86
Rot. Bonds4

About [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 58211130) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID58211130
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cccc(C)c1SCc1cccc(C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C21H26N2OS/c1-15-7-6-12-23(13-15)21(24)19-11-5-10-18(22-19)14-25-20-16(2)8-4-9-17(20)3/h4-5,8-11,15H,6-7,12-14H2,1-3H3
InChIKeyZWMHHLLZNGYFKL-UHFFFAOYSA-N
XLogP4.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211273
[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211188
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
azepan-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 11990096
ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177348708
azepan-1-yl-[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 58210853
[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 58211437
[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177347694
[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58211189
6-[(2,6-dimethylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide
CID 58210986
[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58210803
6-(3-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109099715

Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 58211130) is [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is Cc1cccc(C)c1SCc1cccc(C(=O)N2CCCC(C)C2)n1.
What is the InChIKey of [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ZWMHHLLZNGYFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-15-7-6-12-23(13-15)21(24)19-11-5-10-18(22-19)14-25-20-16(2)8-4-9-17(20)3/h4-5,8-11,15H,6-7,12-14H2,1-3H3.
What are the key properties of [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 354.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58211130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).