2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C17H21N3O2S — CID 95740590

IUPAC2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1OCCc2sccc21)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H21N3O2S/c21-17(10-15-13-5-9-23-16(13)4-8-22-15)20-7-1-2-12(11-20)14-3-6-18-19-14/h3,5-6,9,12,15H,1-2,4,7-8,10-11H2,(H,18,19)/t12-,15+/m1/s1
InChIKeyHJNQHGLFHVHPPC-DOMZBBRYSA-N
MW331.44 g/mol
LogP2.88
Rot. Bonds3

About 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 95740590) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID95740590
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(C[C@@H]1OCCc2sccc21)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H21N3O2S/c21-17(10-15-13-5-9-23-16(13)4-8-22-15)20-7-1-2-12(11-20)14-3-6-18-19-14/h3,5-6,9,12,15H,1-2,4,7-8,10-11H2,(H,18,19)/t12-,15+/m1/s1
InChIKeyHJNQHGLFHVHPPC-DOMZBBRYSA-N
XLogP2.88
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97004306
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95325187
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
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926772
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 95761963
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124955122
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethanone
CID 95281918
[(2R)-1,4-dioxan-2-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768695
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95308603
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 95740590) is 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(C[C@@H]1OCCc2sccc21)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is HJNQHGLFHVHPPC-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-17(10-15-13-5-9-23-16(13)4-8-22-15)20-7-1-2-12(11-20)14-3-6-18-19-14/h3,5-6,9,12,15H,1-2,4,7-8,10-11H2,(H,18,19)/t12-,15+/m1/s1.
What are the key properties of 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 331.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95740590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).