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

C13H19NOS2 — CID 83229462

IUPAC(6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NOC2CCCC2)c2ccsc2S1
InChIInChI=1S/C13H19NOS2/c1-9-8-12(11-6-7-16-13(11)17-9)14-15-10-4-2-3-5-10/h6-7,9-10,12,14H,2-5,8H2,1H3/t9-,12?/m0/s1
InChIKeyVOAFLQORPUCCMG-QHGLUPRGSA-N
MW269.43 g/mol
LogP4.14
Rot. Bonds3

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

(6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 83229462) has the molecular formula C13H19NOS2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID83229462
Molecular FormulaC13H19NOS2
Molecular Weight269.43 g/mol
Exact Mass269.09
IUPAC Name(6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NOC2CCCC2)c2ccsc2S1
InChIInChI=1S/C13H19NOS2/c1-9-8-12(11-6-7-16-13(11)17-9)14-15-10-4-2-3-5-10/h6-7,9-10,12,14H,2-5,8H2,1H3/t9-,12?/m0/s1
InChIKeyVOAFLQORPUCCMG-QHGLUPRGSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6S)-N-cyclopentyloxy-6-methyl-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

Related Compounds

(6S)-N-cyclohexyl-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81300957
(6S)-N-(2-cyclobutylethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103903461
(6S)-N-(3-methoxycyclobutyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 104584527
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629
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-[3-(2-methoxyethoxy)propyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301909
1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine
CID 81297023
(6S)-N-[cyclopropyl(phenyl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297032
(4R,6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
CID 10465057
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-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 83229462) is (6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C[C@H]1CC(NOC2CCCC2)c2ccsc2S1.
What is the InChIKey of (6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is VOAFLQORPUCCMG-QHGLUPRGSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-9-8-12(11-6-7-16-13(11)17-9)14-15-10-4-2-3-5-10/h6-7,9-10,12,14H,2-5,8H2,1H3/t9-,12?/m0/s1.
What are the key properties of (6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 269.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclopentyloxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 83229462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).