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

C13H21NOS2 — CID 103788629

IUPAC(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCOC(C)(C)CNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C13H21NOS2/c1-9-7-11(14-8-13(2,3)15-4)10-5-6-16-12(10)17-9/h5-6,9,11,14H,7-8H2,1-4H3/t9-,11?/m0/s1
InChIKeyJVTKKPMHLBUNRS-FTNKSUMCSA-N
MW271.45 g/mol
LogP3.69
Rot. Bonds4

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

(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 103788629) has the molecular formula C13H21NOS2 and a molecular weight of 271.45 g/mol. Its IUPAC name is (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID103788629
Molecular FormulaC13H21NOS2
Molecular Weight271.45 g/mol
Exact Mass271.11
IUPAC Name(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCOC(C)(C)CNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C13H21NOS2/c1-9-7-11(14-8-13(2,3)15-4)10-5-6-16-12(10)17-9/h5-6,9,11,14H,7-8H2,1-4H3/t9-,11?/m0/s1
InChIKeyJVTKKPMHLBUNRS-FTNKSUMCSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 103788629) is (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is COC(C)(C)CNC1C[C@H](C)Sc2sccc21.
What is the InChIKey of (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is JVTKKPMHLBUNRS-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H21NOS2/c1-9-7-11(14-8-13(2,3)15-4)10-5-6-16-12(10)17-9/h5-6,9,11,14H,7-8H2,1-4H3/t9-,11?/m0/s1.
What are the key properties of (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 271.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 103788629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).