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

C17H21NOS2 — CID 81297042

IUPAC(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCOCc1ccccc1CNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C17H21NOS2/c1-12-9-16(15-7-8-20-17(15)21-12)18-10-13-5-3-4-6-14(13)11-19-2/h3-8,12,16,18H,9-11H2,1-2H3/t12-,16?/m0/s1
InChIKeyFOSSNTFMZTVRIU-HKALDPMFSA-N
MW319.50 g/mol
LogP4.61
Rot. Bonds5

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

(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81297042) has the molecular formula C17H21NOS2 and a molecular weight of 319.50 g/mol. Its IUPAC name is (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81297042
Molecular FormulaC17H21NOS2
Molecular Weight319.50 g/mol
Exact Mass319.11
IUPAC Name(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCOCc1ccccc1CNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C17H21NOS2/c1-12-9-16(15-7-8-20-17(15)21-12)18-10-13-5-3-4-6-14(13)11-19-2/h3-8,12,16,18H,9-11H2,1-2H3/t12-,16?/m0/s1
InChIKeyFOSSNTFMZTVRIU-HKALDPMFSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81297042) is (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is COCc1ccccc1CNC1C[C@H](C)Sc2sccc21.
What is the InChIKey of (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is FOSSNTFMZTVRIU-HKALDPMFSA-N. The full InChI is InChI=1S/C17H21NOS2/c1-12-9-16(15-7-8-20-17(15)21-12)18-10-13-5-3-4-6-14(13)11-19-2/h3-8,12,16,18H,9-11H2,1-2H3/t12-,16?/m0/s1.
What are the key properties of (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 319.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81297042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).