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

C14H23NS3 — CID 104926388

IUPAC(6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCSCCCCCNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C14H23NS3/c1-11-10-13(12-6-9-17-14(12)18-11)15-7-4-3-5-8-16-2/h6,9,11,13,15H,3-5,7-8,10H2,1-2H3/t11-,13?/m0/s1
InChIKeyUMAJBBWVXFMMKH-AMGKYWFPSA-N
MW301.55 g/mol
LogP4.80
Rot. Bonds7

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

(6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 104926388) has the molecular formula C14H23NS3 and a molecular weight of 301.55 g/mol. Its IUPAC name is (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID104926388
Molecular FormulaC14H23NS3
Molecular Weight301.55 g/mol
Exact Mass301.10
IUPAC Name(6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCSCCCCCNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C14H23NS3/c1-11-10-13(12-6-9-17-14(12)18-11)15-7-4-3-5-8-16-2/h6,9,11,13,15H,3-5,7-8,10H2,1-2H3/t11-,13?/m0/s1
InChIKeyUMAJBBWVXFMMKH-AMGKYWFPSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 104926388) is (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is CSCCCCCNC1C[C@H](C)Sc2sccc21.
What is the InChIKey of (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is UMAJBBWVXFMMKH-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H23NS3/c1-11-10-13(12-6-9-17-14(12)18-11)15-7-4-3-5-8-16-2/h6,9,11,13,15H,3-5,7-8,10H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 301.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-(5-methylsulfanylpentyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 104926388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).