1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone

C10H18N2OS — CID 6456386

IUPAC1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C10H18N2OS/c1-9(13)11-3-5-12(6-4-11)10-2-7-14-8-10/h10H,2-8H2,1H3
InChIKeyUARLDHUCZKXYPK-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.66
Rot. Bonds1

About 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone

1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone (PubChem CID 6456386) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone
PubChem CID6456386
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CCSC2)CC1
InChIInChI=1S/C10H18N2OS/c1-9(13)11-3-5-12(6-4-11)10-2-7-14-8-10/h10H,2-8H2,1H3
InChIKeyUARLDHUCZKXYPK-UHFFFAOYSA-N
XLogP0.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone (CID 6456386) is 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CCSC2)CC1.
What is the InChIKey of 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone?
The InChIKey is UARLDHUCZKXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-9(13)11-3-5-12(6-4-11)10-2-7-14-8-10/h10H,2-8H2,1H3.
What are the key properties of 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone?
1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone has a molecular weight of 214.33 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiolan-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 6456386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).