2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone

C15H22N2OS2 — CID 103777424

IUPAC2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone
SMILESC[C@H]1CC(NCC(=O)N2CCCCC2)c2ccsc2S1
InChIInChI=1S/C15H22N2OS2/c1-11-9-13(12-5-8-19-15(12)20-11)16-10-14(18)17-6-3-2-4-7-17/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3/t11-,13?/m0/s1
InChIKeyYNFUVHHEDCLYAK-AMGKYWFPSA-N
MW310.49 g/mol
LogP3.28
Rot. Bonds3

About 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone

2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone (PubChem CID 103777424) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone
PubChem CID103777424
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC Name2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone
SMILESC[C@H]1CC(NCC(=O)N2CCCCC2)c2ccsc2S1
InChIInChI=1S/C15H22N2OS2/c1-11-9-13(12-5-8-19-15(12)20-11)16-10-14(18)17-6-3-2-4-7-17/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3/t11-,13?/m0/s1
InChIKeyYNFUVHHEDCLYAK-AMGKYWFPSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 103906920
3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-1-ol
CID 81301803
N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
CID 81322736
1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one
CID 81329176
(2S)-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]butan-1-ol
CID 104980858
(6S)-6-methyl-N-pent-4-ynyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103786897
1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone
CID 62840325
(6S)-N-cyclohexyl-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81300957
(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297813
(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 104585069
(6S)-N-[3-(2-methoxyethoxy)propyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301909
(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 113348939

Frequently Asked Questions

What is the IUPAC name of 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone (CID 103777424) is 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone is C[C@H]1CC(NCC(=O)N2CCCCC2)c2ccsc2S1.
What is the InChIKey of 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone?
The InChIKey is YNFUVHHEDCLYAK-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-11-9-13(12-5-8-19-15(12)20-11)16-10-14(18)17-6-3-2-4-7-17/h5,8,11,13,16H,2-4,6-7,9-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone?
2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone has a molecular weight of 310.49 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 103777424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).