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

C15H18N2O2S2 — CID 71924818

IUPAC1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one
SMILESO=C(C1SCCc2sccc21)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C15H18N2O2S2/c18-13-9-16(5-6-17(13)10-1-2-10)15(19)14-11-3-7-20-12(11)4-8-21-14/h3,7,10,14H,1-2,4-6,8-9H2
InChIKeyPIKVRQKKIHWGLX-UHFFFAOYSA-N
MW322.46 g/mol
LogP1.91
Rot. Bonds2

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

1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one (PubChem CID 71924818) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one
PubChem CID71924818
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one
SMILESO=C(C1SCCc2sccc21)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C15H18N2O2S2/c18-13-9-16(5-6-17(13)10-1-2-10)15(19)14-11-3-7-20-12(11)4-8-21-14/h3,7,10,14H,1-2,4-6,8-9H2
InChIKeyPIKVRQKKIHWGLX-UHFFFAOYSA-N
XLogP1.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one (CID 71924818) is 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one is O=C(C1SCCc2sccc21)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one?
The InChIKey is PIKVRQKKIHWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c18-13-9-16(5-6-17(13)10-1-2-10)15(19)14-11-3-7-20-12(11)4-8-21-14/h3,7,10,14H,1-2,4-6,8-9H2.
What are the key properties of 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one?
1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one has a molecular weight of 322.46 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 71924818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).