1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one

C11H16N2OS2 — CID 62544572

IUPAC1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one
SMILESO=C(CCSc1cccs1)N1CCNCC1
InChIInChI=1S/C11H16N2OS2/c14-10(13-6-4-12-5-7-13)3-9-16-11-2-1-8-15-11/h1-2,8,12H,3-7,9H2
InChIKeyZUSMAVUPHYVTOY-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.66
Rot. Bonds4

About 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one

1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one (PubChem CID 62544572) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one
PubChem CID62544572
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one
SMILESO=C(CCSc1cccs1)N1CCNCC1
InChIInChI=1S/C11H16N2OS2/c14-10(13-6-4-12-5-7-13)3-9-16-11-2-1-8-15-11/h1-2,8,12H,3-7,9H2
InChIKeyZUSMAVUPHYVTOY-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-thiophen-2-ylsulfanylpropyl)piperazine
CID 68783975
1-piperazin-1-yl-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119400033
3-(2-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39282675
2-piperidin-4-ylethyl 3-thiophen-2-ylsulfanylpropanoate
CID 174589325
1-(4-hydroxypiperidin-1-yl)-2-thiophen-2-ylsulfanylethanone
CID 43427796
2-[1-(2-thiophen-2-ylsulfanylacetyl)piperidin-4-yl]acetic acid
CID 78980678
1,4-diazepan-1-yl-[3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone
CID 119415677
1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride
CID 120980871
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 30885271
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylsulfanylethanone
CID 63308244
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-piperazin-1-ylpropan-1-one
CID 81465641
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one (CID 62544572) is 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one is O=C(CCSc1cccs1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one?
The InChIKey is ZUSMAVUPHYVTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c14-10(13-6-4-12-5-7-13)3-9-16-11-2-1-8-15-11/h1-2,8,12H,3-7,9H2.
What are the key properties of 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one?
1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one has a molecular weight of 256.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-thiophen-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 62544572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).