1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

C15H19N3OS2 — CID 7889522

IUPAC1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)CSc1ncnc2sccc12
InChIInChI=1S/C15H19N3OS2/c1-10-4-3-5-11(2)18(10)13(19)8-21-15-12-6-7-20-14(12)16-9-17-15/h6-7,9-11H,3-5,8H2,1-2H3/t10-,11-/m0/s1
InChIKeyQFBWCZHZMGYKET-QWRGUYRKSA-N
MW321.47 g/mol
LogP3.57
Rot. Bonds3

About 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 7889522) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
PubChem CID7889522
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)CSc1ncnc2sccc12
InChIInChI=1S/C15H19N3OS2/c1-10-4-3-5-11(2)18(10)13(19)8-21-15-12-6-7-20-14(12)16-9-17-15/h6-7,9-11H,3-5,8H2,1-2H3/t10-,11-/m0/s1
InChIKeyQFBWCZHZMGYKET-QWRGUYRKSA-N
XLogP3.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone with MolForge

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Related Compounds

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889521
1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 82147639
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
CID 1176276
1-(4-methylsulfonylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 17410554
1-(4-benzylpiperidin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707951
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 11914450
1-(3,4-dihydro-2H-quinolin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707962
[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 11914441
1-(3-fluorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 8676106
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 17445296
[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7736007
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889421

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (CID 7889522) is 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncnc2sccc12.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is QFBWCZHZMGYKET-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-10-4-3-5-11(2)18(10)13(19)8-21-15-12-6-7-20-14(12)16-9-17-15/h6-7,9-11H,3-5,8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 321.47 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 7889522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).