1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one

C15H20N2O2S2 — CID 97095206

IUPAC1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1
InChIInChI=1S/C15H20N2O2S2/c1-2-13(18)16-5-7-17(8-6-16)15(19)14-11-3-9-20-12(11)4-10-21-14/h3,9,14H,2,4-8,10H2,1H3/t14-/m1/s1
InChIKeyHAURKCHZTZZEHZ-CQSZACIVSA-N
MW324.47 g/mol
LogP2.16
Rot. Bonds2

About 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one

1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one (PubChem CID 97095206) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one
PubChem CID97095206
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1
InChIInChI=1S/C15H20N2O2S2/c1-2-13(18)16-5-7-17(8-6-16)15(19)14-11-3-9-20-12(11)4-10-21-14/h3,9,14H,2,4-8,10H2,1H3/t14-/m1/s1
InChIKeyHAURKCHZTZZEHZ-CQSZACIVSA-N
XLogP2.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one (CID 97095206) is 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1.
What is the InChIKey of 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one?
The InChIKey is HAURKCHZTZZEHZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-2-13(18)16-5-7-17(8-6-16)15(19)14-11-3-9-20-12(11)4-10-21-14/h3,9,14H,2,4-8,10H2,1H3/t14-/m1/s1.
What are the key properties of 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one?
1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one has a molecular weight of 324.47 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4R)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 97095206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).