2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

C18H23N3O2S — CID 95297046

IUPAC2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cnn([C@H]2CCCN(C(=O)C[C@@H]3OCCc4ccsc43)C2)c1
InChIInChI=1S/C18H23N3O2S/c1-13-10-19-21(11-13)15-3-2-6-20(12-15)17(22)9-16-18-14(4-7-23-16)5-8-24-18/h5,8,10-11,15-16H,2-4,6-7,9,12H2,1H3/t15-,16-/m0/s1
InChIKeyZWPIJUJYCVHNNP-HOTGVXAUSA-N
MW345.47 g/mol
LogP3.12
Rot. Bonds3

About 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 95297046) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
PubChem CID95297046
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cnn([C@H]2CCCN(C(=O)C[C@@H]3OCCc4ccsc43)C2)c1
InChIInChI=1S/C18H23N3O2S/c1-13-10-19-21(11-13)15-3-2-6-20(12-15)17(22)9-16-18-14(4-7-23-16)5-8-24-18/h5,8,10-11,15-16H,2-4,6-7,9,12H2,1H3/t15-,16-/m0/s1
InChIKeyZWPIJUJYCVHNNP-HOTGVXAUSA-N
XLogP3.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone (CID 95297046) is 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone is Cc1cnn([C@H]2CCCN(C(=O)C[C@@H]3OCCc4ccsc43)C2)c1.
What is the InChIKey of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is ZWPIJUJYCVHNNP-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-10-19-21(11-13)15-3-2-6-20(12-15)17(22)9-16-18-14(4-7-23-16)5-8-24-18/h5,8,10-11,15-16H,2-4,6-7,9,12H2,1H3/t15-,16-/m0/s1.
What are the key properties of 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95297046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).