1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone

C16H20N2O3S — CID 97038886

IUPAC1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C16H20N2O3S/c19-14(15-4-1-9-21-15)12-17-5-7-18(8-6-17)16(20)11-13-3-2-10-22-13/h1-4,9-10,14,19H,5-8,11-12H2/t14-/m0/s1
InChIKeyYKSFFVFQDPUEBV-AWEZNQCLSA-N
MW320.41 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 97038886) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID97038886
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C16H20N2O3S/c19-14(15-4-1-9-21-15)12-17-5-7-18(8-6-17)16(20)11-13-3-2-10-22-13/h1-4,9-10,14,19H,5-8,11-12H2/t14-/m0/s1
InChIKeyYKSFFVFQDPUEBV-AWEZNQCLSA-N
XLogP1.76
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 23848048
1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 95322523
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038867
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
CID 71783234
1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 91939147
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8756076
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783448

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone (CID 97038886) is 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(C[C@H](O)c2ccco2)CC1.
What is the InChIKey of 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is YKSFFVFQDPUEBV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-14(15-4-1-9-21-15)12-17-5-7-18(8-6-17)16(20)11-13-3-2-10-22-13/h1-4,9-10,14,19H,5-8,11-12H2/t14-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 320.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 97038886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).