[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione

C15H21NO3S2 — CID 54471594

IUPAC[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione
SMILESCOc1ccc(C(=S)N2CCOCC2)c(OCCSC)c1
InChIInChI=1S/C15H21NO3S2/c1-17-12-3-4-13(14(11-12)19-9-10-21-2)15(20)16-5-7-18-8-6-16/h3-4,11H,5-10H2,1-2H3
InChIKeyXITAIEOMSUBKDE-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.44
Rot. Bonds6

About [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione

[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione (PubChem CID 54471594) has the molecular formula C15H21NO3S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione
PubChem CID54471594
Molecular FormulaC15H21NO3S2
Molecular Weight327.47 g/mol
Exact Mass327.10
IUPAC Name[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione
SMILESCOc1ccc(C(=S)N2CCOCC2)c(OCCSC)c1
InChIInChI=1S/C15H21NO3S2/c1-17-12-3-4-13(14(11-12)19-9-10-21-2)15(20)16-5-7-18-8-6-16/h3-4,11H,5-10H2,1-2H3
InChIKeyXITAIEOMSUBKDE-UHFFFAOYSA-N
XLogP2.44
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione 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

(2,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 879066
(2,4-dimethoxyphenyl)-piperidin-1-ylmethanethione
CID 15398722
2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione
CID 151461762
morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione
CID 975910
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
(4-methoxyphenyl) morpholine-4-carbodithioate
CID 23907737
2-(2-methylsulfanylethoxy)terephthalic acid
CID 175240037
potassium trifluoro-[5-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 113443476
[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
CID 118773491
[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate
CID 24894420
2-[4-(4-methoxyphenyl)phenyl]-1-morpholin-4-ylethanethione
CID 7341191

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione?
The IUPAC name of [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione (CID 54471594) is [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione.
What is the SMILES notation for [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione?
The canonical SMILES for [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione is COc1ccc(C(=S)N2CCOCC2)c(OCCSC)c1.
What is the InChIKey of [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione?
The InChIKey is XITAIEOMSUBKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S2/c1-17-12-3-4-13(14(11-12)19-9-10-21-2)15(20)16-5-7-18-8-6-16/h3-4,11H,5-10H2,1-2H3.
What are the key properties of [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione?
[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione has a molecular weight of 327.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione is sourced from PubChem (CID 54471594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).