2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone

C17H24N2O2S — CID 56791534

IUPAC2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(C2CSCCN2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O2S/c1-14-2-4-15(5-3-14)16-13-22-11-8-19(16)12-17(20)18-6-9-21-10-7-18/h2-5,16H,6-13H2,1H3
InChIKeySEFQVLGWHUGSGT-UHFFFAOYSA-N
MW320.46 g/mol
LogP1.94
Rot. Bonds3

About 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone

2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 56791534) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone
PubChem CID56791534
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(C2CSCCN2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O2S/c1-14-2-4-15(5-3-14)16-13-22-11-8-19(16)12-17(20)18-6-9-21-10-7-18/h2-5,16H,6-13H2,1H3
InChIKeySEFQVLGWHUGSGT-UHFFFAOYSA-N
XLogP1.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol
CID 111422289
2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide
CID 139001832
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 125007525
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
N-[(4-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943434
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride
CID 120793631
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9473849
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
CID 53046537
7-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-3H-1,4-benzoxazin-2-one
CID 39069249
2-amino-2-(4-methylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 120669397
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56801201

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone (CID 56791534) is 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone is Cc1ccc(C2CSCCN2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is SEFQVLGWHUGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-14-2-4-15(5-3-14)16-13-22-11-8-19(16)12-17(20)18-6-9-21-10-7-18/h2-5,16H,6-13H2,1H3.
What are the key properties of 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone?
2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 320.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 56791534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).