[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone

C18H20N2OS — CID 70757092

IUPAC[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccccc1SC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C18H20N2OS/c1-14-6-2-3-8-17(14)22-15-9-12-20(13-10-15)18(21)16-7-4-5-11-19-16/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyZXNFTYDJOQPAPS-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.79
Rot. Bonds3

About [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone

[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 70757092) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID70757092
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ccccc1SC1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C18H20N2OS/c1-14-6-2-3-8-17(14)22-15-9-12-20(13-10-15)18(21)16-7-4-5-11-19-16/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyZXNFTYDJOQPAPS-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154889210
3-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 70747663
(4-methylphenyl)-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone
CID 141265347
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 90589965
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone (CID 70757092) is [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone is Cc1ccccc1SC1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is ZXNFTYDJOQPAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-14-6-2-3-8-17(14)22-15-9-12-20(13-10-15)18(21)16-7-4-5-11-19-16/h2-8,11,15H,9-10,12-13H2,1H3.
What are the key properties of [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone?
[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 312.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 70757092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).