(6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C16H18FNS2 — CID 81300912

IUPAC(6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCC(NC1C[C@H](C)Sc2sccc21)c1cccc(F)c1
InChIInChI=1S/C16H18FNS2/c1-10-8-15(14-6-7-19-16(14)20-10)18-11(2)12-4-3-5-13(17)9-12/h3-7,9-11,15,18H,8H2,1-2H3/t10-,11?,15?/m0/s1
InChIKeyNHEKFTONMGFKHS-NLTNOIMHSA-N
MW307.46 g/mol
LogP5.16
Rot. Bonds3

About (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81300912) has the molecular formula C16H18FNS2 and a molecular weight of 307.46 g/mol. Its IUPAC name is (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81300912
Molecular FormulaC16H18FNS2
Molecular Weight307.46 g/mol
Exact Mass307.09
IUPAC Name(6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCC(NC1C[C@H](C)Sc2sccc21)c1cccc(F)c1
InChIInChI=1S/C16H18FNS2/c1-10-8-15(14-6-7-19-16(14)20-10)18-11(2)12-4-3-5-13(17)9-12/h3-7,9-11,15,18H,8H2,1-2H3/t10-,11?,15?/m0/s1
InChIKeyNHEKFTONMGFKHS-NLTNOIMHSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine with MolForge

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842289
(6S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301176
N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
CID 81327764
N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113376397
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 103906920
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81369914
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
N-[1-(3-fluorophenyl)ethyl]-2-propylcyclopropan-1-amine
CID 115892229
N-[(1S)-1-(3-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466614
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81300912) is (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is CC(NC1C[C@H](C)Sc2sccc21)c1cccc(F)c1.
What is the InChIKey of (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is NHEKFTONMGFKHS-NLTNOIMHSA-N. The full InChI is InChI=1S/C16H18FNS2/c1-10-8-15(14-6-7-19-16(14)20-10)18-11(2)12-4-3-5-13(17)9-12/h3-7,9-11,15,18H,8H2,1-2H3/t10-,11?,15?/m0/s1.
What are the key properties of (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 307.46 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[1-(3-fluorophenyl)ethyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81300912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).