2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

C18H25N3O3S — CID 95724884

IUPAC2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1SCC(=O)N1CCNC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H25N3O3S/c1-14-4-2-3-5-16(14)25-13-17(22)21-7-6-19-12-15(21)18(23)20-8-10-24-11-9-20/h2-5,15,19H,6-13H2,1H3/t15-/m0/s1
InChIKeyGWLJCDNAKWLPRL-HNNXBMFYSA-N
MW363.48 g/mol
LogP0.75
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 95724884) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID95724884
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1SCC(=O)N1CCNC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H25N3O3S/c1-14-4-2-3-5-16(14)25-13-17(22)21-7-6-19-12-15(21)18(23)20-8-10-24-11-9-20/h2-5,15,19H,6-13H2,1H3/t15-/m0/s1
InChIKeyGWLJCDNAKWLPRL-HNNXBMFYSA-N
XLogP0.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide
CID 56902915
[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 95718120
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 56887679
4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 95717871
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
CID 56911408
3-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39282675
[(2R)-1-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 95722992
[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 56891270
[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone
CID 95720314
1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 63106968
2-(4-bromo-2-methylphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
CID 119470906
(3S)-2-[2-(2-methylphenyl)sulfanylacetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95712023

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone (CID 95724884) is 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone is Cc1ccccc1SCC(=O)N1CCNC[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is GWLJCDNAKWLPRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-14-4-2-3-5-16(14)25-13-17(22)21-7-6-19-12-15(21)18(23)20-8-10-24-11-9-20/h2-5,15,19H,6-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 363.48 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 95724884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).