1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol

C17H28N2O3S — CID 164906171

IUPAC1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol
SMILESCCC1CN(CC(O)COc2ccc(N(C)SC)cc2)CCO1
InChIInChI=1S/C17H28N2O3S/c1-4-16-12-19(9-10-21-16)11-15(20)13-22-17-7-5-14(6-8-17)18(2)23-3/h5-8,15-16,20H,4,9-13H2,1-3H3
InChIKeyNGTVTUDEXAJLLR-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.25
Rot. Bonds8

About 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol

1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol (PubChem CID 164906171) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol
PubChem CID164906171
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol
SMILESCCC1CN(CC(O)COc2ccc(N(C)SC)cc2)CCO1
InChIInChI=1S/C17H28N2O3S/c1-4-16-12-19(9-10-21-16)11-15(20)13-22-17-7-5-14(6-8-17)18(2)23-3/h5-8,15-16,20H,4,9-13H2,1-3H3
InChIKeyNGTVTUDEXAJLLR-UHFFFAOYSA-N
XLogP2.25
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-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

4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595
4-[2-hydroxy-3-(4-methylphenoxy)propyl]morpholine-2-carbonitrile
CID 111105465
(2R)-1-(4-fluorophenoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-2-ol
CID 100841995
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
1-(2-ethyl-6-methylmorpholin-4-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 111113659
1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849352
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95329378
N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731560
[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 42862313
N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol?
The IUPAC name of 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol (CID 164906171) is 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol?
The canonical SMILES for 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol is CCC1CN(CC(O)COc2ccc(N(C)SC)cc2)CCO1.
What is the InChIKey of 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol?
The InChIKey is NGTVTUDEXAJLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-4-16-12-19(9-10-21-16)11-15(20)13-22-17-7-5-14(6-8-17)18(2)23-3/h5-8,15-16,20H,4,9-13H2,1-3H3.
What are the key properties of 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol?
1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol has a molecular weight of 340.49 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylmorpholin-4-yl)-3-[4-[methyl(methylsulfanyl)amino]phenoxy]propan-2-ol is sourced from PubChem (CID 164906171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).