1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C19H28N2O2S — CID 70783053

IUPAC1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1ccccc1SC1CCN(C(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C19H28N2O2S/c1-16-4-2-3-5-18(16)24-17-6-10-21(11-7-17)19(22)8-9-20-12-14-23-15-13-20/h2-5,17H,6-15H2,1H3
InChIKeyAUEGXSBGNUFMNW-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.80
Rot. Bonds5

About 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 70783053) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID70783053
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1ccccc1SC1CCN(C(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C19H28N2O2S/c1-16-4-2-3-5-18(16)24-17-6-10-21(11-7-17)19(22)8-9-20-12-14-23-15-13-20/h2-5,17H,6-15H2,1H3
InChIKeyAUEGXSBGNUFMNW-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 67444746
1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96572481
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]propan-1-one;hydrochloride
CID 154915897
[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
CID 70757092
1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 174492810
4-(3-morpholin-4-ylpropanoyl)-N-phenylpiperazine-1-carboxamide
CID 110422657
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
2-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110284700
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 70783053) is 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one is Cc1ccccc1SC1CCN(C(=O)CCN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is AUEGXSBGNUFMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-16-4-2-3-5-18(16)24-17-6-10-21(11-7-17)19(22)8-9-20-12-14-23-15-13-20/h2-5,17H,6-15H2,1H3.
What are the key properties of 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 348.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 70783053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).