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

C15H15F2NS2 — CID 81261722

IUPAC1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H15F2NS2/c1-18-15(9-2-3-11(16)12(17)6-9)14-7-10-8-19-5-4-13(10)20-14/h2-3,6-7,15,18H,4-5,8H2,1H3
InChIKeyXMZGNORQWFPKIB-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.12
Rot. Bonds3

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

1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine (PubChem CID 81261722) has the molecular formula C15H15F2NS2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
PubChem CID81261722
Molecular FormulaC15H15F2NS2
Molecular Weight311.42 g/mol
Exact Mass311.06
IUPAC Name1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H15F2NS2/c1-18-15(9-2-3-11(16)12(17)6-9)14-7-10-8-19-5-4-13(10)20-14/h2-3,6-7,15,18H,4-5,8H2,1H3
InChIKeyXMZGNORQWFPKIB-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791833
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81266343
1-(3,5-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 115851550
1-(2-chloro-4,5-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 107476199
2-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 81266733
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81266372
1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81261725
1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 115801117
[(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 107562677
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 106764579
N-[(3,4-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 43491299
1-(4-bromo-2,5-dimethylphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81266356

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine (CID 81261722) is 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine is CNC(c1ccc(F)c(F)c1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The InChIKey is XMZGNORQWFPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS2/c1-18-15(9-2-3-11(16)12(17)6-9)14-7-10-8-19-5-4-13(10)20-14/h2-3,6-7,15,18H,4-5,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine has a molecular weight of 311.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81261722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).