[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate

C14H17NO3S2 — CID 24894420

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate
SMILESCOc1ccc(C(=O)CSC(=S)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO3S2/c1-17-12-4-2-11(3-5-12)13(16)10-20-14(19)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3
InChIKeySUDSXNDGGPMQNB-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.23
Rot. Bonds4

About [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate

[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate (PubChem CID 24894420) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate
PubChem CID24894420
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate
SMILESCOc1ccc(C(=O)CSC(=S)N2CCOCC2)cc1
InChIInChI=1S/C14H17NO3S2/c1-17-12-4-2-11(3-5-12)13(16)10-20-14(19)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3
InChIKeySUDSXNDGGPMQNB-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
CID 9457333
[2-(4-nitrophenyl)-2-oxoethyl] morpholine-4-carbodithioate
CID 872333
(4-methoxyphenyl) morpholine-4-carbodithioate
CID 23907737
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
N-[C-(4-methoxyphenyl)-N-phenacylcarbonimidoyl]morpholine-4-carbothioamide
CID 10548842
S-[2-(4-chlorophenyl)-2-oxoethyl] morpholine-4-carbothioate
CID 2726464
[3-(4-nitrophenyl)-3-oxopropyl] morpholine-4-carbodithioate
CID 54324305
S-phenacyl 4-methoxybenzenecarbothioate
CID 135051267
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
1-(4-methoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanone
CID 132587428
2-(4-methoxyphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
CID 51682770
methyl 3-(morpholine-4-carbothioylsulfanyl)propanoate
CID 3421253

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate (CID 24894420) is [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate is COc1ccc(C(=O)CSC(=S)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate?
The InChIKey is SUDSXNDGGPMQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-17-12-4-2-11(3-5-12)13(16)10-20-14(19)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate?
[2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate has a molecular weight of 311.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] morpholine-4-carbodithioate is sourced from PubChem (CID 24894420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).