1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone

C20H24N2OS — CID 119487480

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESCNC1CCCN(C(=O)C(Sc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2OS/c1-21-17-11-8-14-22(15-17)20(23)19(16-9-4-2-5-10-16)24-18-12-6-3-7-13-18/h2-7,9-10,12-13,17,19,21H,8,11,14-15H2,1H3
InChIKeyXWJWHEGSLJIKOR-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.73
Rot. Bonds5

About 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone

1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone (PubChem CID 119487480) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
PubChem CID119487480
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESCNC1CCCN(C(=O)C(Sc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H24N2OS/c1-21-17-11-8-14-22(15-17)20(23)19(16-9-4-2-5-10-16)24-18-12-6-3-7-13-18/h2-7,9-10,12-13,17,19,21H,8,11,14-15H2,1H3
InChIKeyXWJWHEGSLJIKOR-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone
CID 119491408
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-phenylsulfanylbutan-1-one;hydrochloride
CID 119490553
1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119409196
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 75864681
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 119372814
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone;hydrochloride
CID 119483222
2-(3,4-difluorophenyl)sulfanyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119398411
(2S)-2-phenyl-2-phenylsulfanyl-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 51926435
[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119490722
2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119562919
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone (CID 119487480) is 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone is CNC1CCCN(C(=O)C(Sc2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is XWJWHEGSLJIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-21-17-11-8-14-22(15-17)20(23)19(16-9-4-2-5-10-16)24-18-12-6-3-7-13-18/h2-7,9-10,12-13,17,19,21H,8,11,14-15H2,1H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 340.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 119487480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).