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

C15H16FNS2 — CID 115791833

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H16FNS2/c1-17-15(10-3-2-4-12(16)7-10)14-8-11-9-18-6-5-13(11)19-14/h2-4,7-8,15,17H,5-6,9H2,1H3
InChIKeyBKZGDAWHLOWKPN-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.99
Rot. Bonds3

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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 115791833) has the molecular formula C15H16FNS2 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID115791833
Molecular FormulaC15H16FNS2
Molecular Weight293.43 g/mol
Exact Mass293.07
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H16FNS2/c1-17-15(10-3-2-4-12(16)7-10)14-8-11-9-18-6-5-13(11)19-14/h2-4,7-8,15,17H,5-6,9H2,1H3
InChIKeyBKZGDAWHLOWKPN-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 115851550
1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81261722
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81266343
1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 115801117
1-(2-chloro-4,5-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 107476199
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 106764579
1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81261725
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81266372
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852042
1-(4-bromo-2,5-dimethylphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81266356
2-[bromo(phenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81260963
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine
CID 105018676

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 115791833) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is BKZGDAWHLOWKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS2/c1-17-15(10-3-2-4-12(16)7-10)14-8-11-9-18-6-5-13(11)19-14/h2-4,7-8,15,17H,5-6,9H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 293.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115791833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).