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

C13H19NS3 — CID 103901416

IUPAC(6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC=CCSCCNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C13H19NS3/c1-3-6-15-8-5-14-12-9-10(2)17-13-11(12)4-7-16-13/h3-4,7,10,12,14H,1,5-6,8-9H2,2H3/t10-,12?/m0/s1
InChIKeyRWPOEFSSIABIBQ-NUHJPDEHSA-N
MW285.50 g/mol
LogP4.18
Rot. Bonds6

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

(6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 103901416) has the molecular formula C13H19NS3 and a molecular weight of 285.50 g/mol. Its IUPAC name is (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID103901416
Molecular FormulaC13H19NS3
Molecular Weight285.50 g/mol
Exact Mass285.07
IUPAC Name(6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC=CCSCCNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C13H19NS3/c1-3-6-15-8-5-14-12-9-10(2)17-13-11(12)4-7-16-13/h3-4,7,10,12,14H,1,5-6,8-9H2,2H3/t10-,12?/m0/s1
InChIKeyRWPOEFSSIABIBQ-NUHJPDEHSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 103901416) is (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C=CCSCCNC1C[C@H](C)Sc2sccc21.
What is the InChIKey of (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is RWPOEFSSIABIBQ-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H19NS3/c1-3-6-15-8-5-14-12-9-10(2)17-13-11(12)4-7-16-13/h3-4,7,10,12,14H,1,5-6,8-9H2,2H3/t10-,12?/m0/s1.
What are the key properties of (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 285.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-(2-prop-2-enylsulfanylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 103901416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).