6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone

C12H16N2O2S — CID 82511811

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone
SMILESO=C(c1cc2c(s1)CCOC2)N1CCNCC1
InChIInChI=1S/C12H16N2O2S/c15-12(14-4-2-13-3-5-14)11-7-9-8-16-6-1-10(9)17-11/h7,13H,1-6,8H2
InChIKeyJTDIAJHQZZOIDB-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.87
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone (PubChem CID 82511811) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone
PubChem CID82511811
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone
SMILESO=C(c1cc2c(s1)CCOC2)N1CCNCC1
InChIInChI=1S/C12H16N2O2S/c15-12(14-4-2-13-3-5-14)11-7-9-8-16-6-1-10(9)17-11/h7,13H,1-6,8H2
InChIKeyJTDIAJHQZZOIDB-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 122147908
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 120658273
1,4-diazepan-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119418449
1,4-diazepan-1-yl(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 119415407
[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 86903571
N-(3-piperazin-1-ylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119393555
N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119453037
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286891
(3aS,7aS)-2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627226
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95606658
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 86888001

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone (CID 82511811) is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone is O=C(c1cc2c(s1)CCOC2)N1CCNCC1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone?
The InChIKey is JTDIAJHQZZOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-12(14-4-2-13-3-5-14)11-7-9-8-16-6-1-10(9)17-11/h7,13H,1-6,8H2.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone has a molecular weight of 252.34 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 82511811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).