1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone

C14H17N3O2S — CID 2705181

IUPAC1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
SMILESC[C@H]1CCCCN1C(=O)COc1ncnc2sccc12
InChIInChI=1S/C14H17N3O2S/c1-10-4-2-3-6-17(10)12(18)8-19-13-11-5-7-20-14(11)16-9-15-13/h5,7,9-10H,2-4,6,8H2,1H3/t10-/m0/s1
InChIKeyUQBHYACIZNSVEX-JTQLQIEISA-N
MW291.38 g/mol
LogP2.47
Rot. Bonds3

About 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone

1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone (PubChem CID 2705181) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
PubChem CID2705181
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
SMILESC[C@H]1CCCCN1C(=O)COc1ncnc2sccc12
InChIInChI=1S/C14H17N3O2S/c1-10-4-2-3-6-17(10)12(18)8-19-13-11-5-7-20-14(11)16-9-15-13/h5,7,9-10H,2-4,6,8H2,1H3/t10-/m0/s1
InChIKeyUQBHYACIZNSVEX-JTQLQIEISA-N
XLogP2.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone (CID 2705181) is 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone.
What is the SMILES notation for 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The canonical SMILES for 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone is C[C@H]1CCCCN1C(=O)COc1ncnc2sccc12.
What is the InChIKey of 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The InChIKey is UQBHYACIZNSVEX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-4-2-3-6-17(10)12(18)8-19-13-11-5-7-20-14(11)16-9-15-13/h5,7,9-10H,2-4,6,8H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone has a molecular weight of 291.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone is sourced from PubChem (CID 2705181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).