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

C18H28N2O2S — CID 111422289

IUPAC1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCc1ccc(C2CSCCN2CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-2-4-16(5-3-15)18-14-23-11-8-20(18)13-17(21)12-19-6-9-22-10-7-19/h2-5,17-18,21H,6-14H2,1H3
InChIKeyGCUSWFRRQPBWOX-UHFFFAOYSA-N
MW336.50 g/mol
LogP1.78
Rot. Bonds5

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

1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111422289) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID111422289
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol
SMILESCc1ccc(C2CSCCN2CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-2-4-16(5-3-15)18-14-23-11-8-20(18)13-17(21)12-19-6-9-22-10-7-19/h2-5,17-18,21H,6-14H2,1H3
InChIKeyGCUSWFRRQPBWOX-UHFFFAOYSA-N
XLogP1.78
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol 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

2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone
CID 56791534
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110883592
(2R)-1-[(3R)-3-phenylthiomorpholin-4-yl]butan-2-ol
CID 124505782
(2R)-1-(3-phenylthiomorpholin-4-yl)butan-2-ol
CID 111488133
2-[3-(4-methylphenyl)thiomorpholin-4-yl]acetic acid
CID 119135595
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110882272
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
CID 167588566
(2R)-1-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 51963960
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 3817099
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol (CID 111422289) is 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol is Cc1ccc(C2CSCCN2CC(O)CN2CCOCC2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GCUSWFRRQPBWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-15-2-4-16(5-3-15)18-14-23-11-8-20(18)13-17(21)12-19-6-9-22-10-7-19/h2-5,17-18,21H,6-14H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol?
1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 336.50 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)thiomorpholin-4-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111422289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).