(6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C15H15BrFNS2 — CID 81298698

IUPAC(6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCc2cc(Br)ccc2F)c2ccsc2S1
InChIInChI=1S/C15H15BrFNS2/c1-9-6-14(12-4-5-19-15(12)20-9)18-8-10-7-11(16)2-3-13(10)17/h2-5,7,9,14,18H,6,8H2,1H3/t9-,14?/m0/s1
InChIKeyXDJJSFLSMMBZMM-CUVJYRNJSA-N
MW372.33 g/mol
LogP5.36
Rot. Bonds3

About (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81298698) has the molecular formula C15H15BrFNS2 and a molecular weight of 372.33 g/mol. Its IUPAC name is (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81298698
Molecular FormulaC15H15BrFNS2
Molecular Weight372.33 g/mol
Exact Mass370.98
IUPAC Name(6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCc2cc(Br)ccc2F)c2ccsc2S1
InChIInChI=1S/C15H15BrFNS2/c1-9-6-14(12-4-5-19-15(12)20-9)18-8-10-7-11(16)2-3-13(10)17/h2-5,7,9,14,18H,6,8H2,1H3/t9-,14?/m0/s1
InChIKeyXDJJSFLSMMBZMM-CUVJYRNJSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.33
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-5-methylthiolan-3-amine
CID 79949958
(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297813
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
N-[(5-bromo-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840429
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690319
N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208223
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
(6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 104926388
3-[(5-bromo-2-fluorophenyl)methylamino]azepan-2-one;hydrochloride
CID 47185904
1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 81338146

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81298698) is (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C[C@H]1CC(NCc2cc(Br)ccc2F)c2ccsc2S1.
What is the InChIKey of (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is XDJJSFLSMMBZMM-CUVJYRNJSA-N. The full InChI is InChI=1S/C15H15BrFNS2/c1-9-6-14(12-4-5-19-15(12)20-9)18-8-10-7-11(16)2-3-13(10)17/h2-5,7,9,14,18H,6,8H2,1H3/t9-,14?/m0/s1.
What are the key properties of (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 372.33 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81298698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).