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

C13H19NOS2 — CID 104584527

IUPAC(6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCOC1CC(NC2C[C@H](C)Sc3sccc32)C1
InChIInChI=1S/C13H19NOS2/c1-8-5-12(11-3-4-16-13(11)17-8)14-9-6-10(7-9)15-2/h3-4,8-10,12,14H,5-7H2,1-2H3/t8-,9?,10?,12?/m0/s1
InChIKeyKNXGDVIYPDBPIL-RNDVSREKSA-N
MW269.43 g/mol
LogP3.44
Rot. Bonds3

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

(6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 104584527) has the molecular formula C13H19NOS2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID104584527
Molecular FormulaC13H19NOS2
Molecular Weight269.43 g/mol
Exact Mass269.09
IUPAC Name(6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCOC1CC(NC2C[C@H](C)Sc3sccc32)C1
InChIInChI=1S/C13H19NOS2/c1-8-5-12(11-3-4-16-13(11)17-8)14-9-6-10(7-9)15-2/h3-4,8-10,12,14H,5-7H2,1-2H3/t8-,9?,10?,12?/m0/s1
InChIKeyKNXGDVIYPDBPIL-RNDVSREKSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(6S)-N-cyclohexyl-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81300957
1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine
CID 81297023
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629
(6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 83229462
1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 81338146
4-methyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperazin-1-amine
CID 83009498
(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 103906920
(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297042
(6S)-N-[3-(2-methoxyethoxy)propyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301909
(6S)-N-[cyclopropyl(phenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297032
3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-1-ol
CID 81301803
(6R)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
CID 169444104

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 104584527) is (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is COC1CC(NC2C[C@H](C)Sc3sccc32)C1.
What is the InChIKey of (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is KNXGDVIYPDBPIL-RNDVSREKSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-8-5-12(11-3-4-16-13(11)17-8)14-9-6-10(7-9)15-2/h3-4,8-10,12,14H,5-7H2,1-2H3/t8-,9?,10?,12?/m0/s1.
What are the key properties of (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 269.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 104584527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).