2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine

C16H17Cl2NS2 — CID 115839950

IUPAC2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H17Cl2NS2/c1-19-14(6-10-2-3-12(17)8-13(10)18)16-7-11-9-20-5-4-15(11)21-16/h2-3,7-8,14,19H,4-6,9H2,1H3
InChIKeyYEHVBEGZZOJXHY-UHFFFAOYSA-N
MW358.36 g/mol
LogP5.35
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine

2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine (PubChem CID 115839950) has the molecular formula C16H17Cl2NS2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
PubChem CID115839950
Molecular FormulaC16H17Cl2NS2
Molecular Weight358.36 g/mol
Exact Mass357.02
IUPAC Name2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1Cl)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H17Cl2NS2/c1-19-14(6-10-2-3-12(17)8-13(10)18)16-7-11-9-20-5-4-15(11)21-16/h2-3,7-8,14,19H,4-6,9H2,1H3
InChIKeyYEHVBEGZZOJXHY-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine 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-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethyl]hydrazine
CID 105295023
2-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 81266733
2-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
CID 81266579
2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
CID 115984985
2-(2-chloro-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115785402
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81261123
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019231
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81260992
2-[1-chloro-2-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261787
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81266343
1-(2-chloro-4,5-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 107476199
1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 115801117

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine (CID 115839950) is 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1Cl)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine?
The InChIKey is YEHVBEGZZOJXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS2/c1-19-14(6-10-2-3-12(17)8-13(10)18)16-7-11-9-20-5-4-15(11)21-16/h2-3,7-8,14,19H,4-6,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine?
2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine has a molecular weight of 358.36 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine is sourced from PubChem (CID 115839950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).