1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone

C18H26N2O2S — CID 96572481

IUPAC1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
SMILESCc1ccccc1SC1CCN(C(=O)C[C@@H]2COCCN2)CC1
InChIInChI=1S/C18H26N2O2S/c1-14-4-2-3-5-17(14)23-16-6-9-20(10-7-16)18(21)12-15-13-22-11-8-19-15/h2-5,15-16,19H,6-13H2,1H3/t15-/m1/s1
InChIKeyLLLYFDJEYJZTER-OAHLLOKOSA-N
MW334.48 g/mol
LogP2.46
Rot. Bonds4

About 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone

1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone (PubChem CID 96572481) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
PubChem CID96572481
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
SMILESCc1ccccc1SC1CCN(C(=O)C[C@@H]2COCCN2)CC1
InChIInChI=1S/C18H26N2O2S/c1-14-4-2-3-5-17(14)23-16-6-9-20(10-7-16)18(21)12-15-13-22-11-8-19-15/h2-5,15-16,19H,6-13H2,1H3/t15-/m1/s1
InChIKeyLLLYFDJEYJZTER-OAHLLOKOSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone 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-methylphenyl)sulfanylpiperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70783053
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96577888
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95728100
4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid
CID 95710502
1-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
CID 56902145
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95714397
1-(3-hydroxyazetidin-1-yl)-2-morpholin-3-ylethanone
CID 107217537
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
CID 70766726
[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
CID 70757092
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The IUPAC name of 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone (CID 96572481) is 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The canonical SMILES for 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone is Cc1ccccc1SC1CCN(C(=O)C[C@@H]2COCCN2)CC1.
What is the InChIKey of 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The InChIKey is LLLYFDJEYJZTER-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-14-4-2-3-5-17(14)23-16-6-9-20(10-7-16)18(21)12-15-13-22-11-8-19-15/h2-5,15-16,19H,6-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone has a molecular weight of 334.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone is sourced from PubChem (CID 96572481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).