1-phenyl-4-(thiolan-3-yl)piperazin-2-one

C14H18N2OS — CID 131942443

IUPAC1-phenyl-4-(thiolan-3-yl)piperazin-2-one
SMILESO=C1CN(C2CCSC2)CCN1c1ccccc1
InChIInChI=1S/C14H18N2OS/c17-14-10-15(13-6-9-18-11-13)7-8-16(14)12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyHFBLYRYQWYAFSL-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.84
Rot. Bonds2

About 1-phenyl-4-(thiolan-3-yl)piperazin-2-one

1-phenyl-4-(thiolan-3-yl)piperazin-2-one (PubChem CID 131942443) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-phenyl-4-(thiolan-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-phenyl-4-(thiolan-3-yl)piperazin-2-one
PubChem CID131942443
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-phenyl-4-(thiolan-3-yl)piperazin-2-one
SMILESO=C1CN(C2CCSC2)CCN1c1ccccc1
InChIInChI=1S/C14H18N2OS/c17-14-10-15(13-6-9-18-11-13)7-8-16(14)12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyHFBLYRYQWYAFSL-UHFFFAOYSA-N
XLogP1.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(thiolan-3-yl)piperazin-2-one?
The IUPAC name of 1-phenyl-4-(thiolan-3-yl)piperazin-2-one (CID 131942443) is 1-phenyl-4-(thiolan-3-yl)piperazin-2-one.
What is the SMILES notation for 1-phenyl-4-(thiolan-3-yl)piperazin-2-one?
The canonical SMILES for 1-phenyl-4-(thiolan-3-yl)piperazin-2-one is O=C1CN(C2CCSC2)CCN1c1ccccc1.
What is the InChIKey of 1-phenyl-4-(thiolan-3-yl)piperazin-2-one?
The InChIKey is HFBLYRYQWYAFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-14-10-15(13-6-9-18-11-13)7-8-16(14)12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 1-phenyl-4-(thiolan-3-yl)piperazin-2-one?
1-phenyl-4-(thiolan-3-yl)piperazin-2-one has a molecular weight of 262.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(thiolan-3-yl)piperazin-2-one is sourced from PubChem (CID 131942443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).