2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C17H22N4O2S — CID 95277579

IUPAC2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1cnnc1C1CCN(C(=O)C[C@H]2OCCc3sccc32)CC1
InChIInChI=1S/C17H22N4O2S/c1-20-11-18-19-17(20)12-2-6-21(7-3-12)16(22)10-14-13-5-9-24-15(13)4-8-23-14/h5,9,11-12,14H,2-4,6-8,10H2,1H3/t14-/m1/s1
InChIKeyOPFJPVYBOSEHGU-CQSZACIVSA-N
MW346.46 g/mol
LogP2.29
Rot. Bonds3

About 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 95277579) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID95277579
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1cnnc1C1CCN(C(=O)C[C@H]2OCCc3sccc32)CC1
InChIInChI=1S/C17H22N4O2S/c1-20-11-18-19-17(20)12-2-6-21(7-3-12)16(22)10-14-13-5-9-24-15(13)4-8-23-14/h5,9,11-12,14H,2-4,6-8,10H2,1H3/t14-/m1/s1
InChIKeyOPFJPVYBOSEHGU-CQSZACIVSA-N
XLogP2.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 95277579) is 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is Cn1cnnc1C1CCN(C(=O)C[C@H]2OCCc3sccc32)CC1.
What is the InChIKey of 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is OPFJPVYBOSEHGU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-20-11-18-19-17(20)12-2-6-21(7-3-12)16(22)10-14-13-5-9-24-15(13)4-8-23-14/h5,9,11-12,14H,2-4,6-8,10H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 346.46 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95277579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).