(3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione

C13H17NO3S — CID 825739

IUPAC(3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione
SMILESCOc1ccc(C(=S)N2CCOCC2)cc1OC
InChIInChI=1S/C13H17NO3S/c1-15-11-4-3-10(9-12(11)16-2)13(18)14-5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3
InChIKeyMKUCBRGTFLKHKV-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.71
Rot. Bonds3

About (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione

(3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione (PubChem CID 825739) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione
PubChem CID825739
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione
SMILESCOc1ccc(C(=S)N2CCOCC2)cc1OC
InChIInChI=1S/C13H17NO3S/c1-15-11-4-3-10(9-12(11)16-2)13(18)14-5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3
InChIKeyMKUCBRGTFLKHKV-UHFFFAOYSA-N
XLogP1.71
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,4-dimethoxyphenyl)-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

6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
Trithiozine
CID 65790
Vanitiolide
CID 72146
Morpholine, 4-((4-hydroxy-3,5-dimethoxyphenyl)thioxomethyl)-
CID 799893
Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-
CID 969955
4-[(3,4-Dimethoxyphenyl)methyl]morpholine
CID 782582
2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione
CID 308043
4-(4-Methoxybenzyl)morpholine
CID 782439
N,N-Diethyl-4-hydroxy-3-methoxybenzenecarbothioamide
CID 135932827
1-(3,4-Dimethoxybenzyl)azepane
CID 751003
1-(3-Ethoxy-4-methoxybenzyl)azepane
CID 764455
N-(3,4-dimethoxybenzyl)-N,1-dimethyl-4-piperidinamine
CID 765855

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione (CID 825739) is (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione is COc1ccc(C(=S)N2CCOCC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione?
The InChIKey is MKUCBRGTFLKHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-15-11-4-3-10(9-12(11)16-2)13(18)14-5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione?
(3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione has a molecular weight of 267.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 825739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).