[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone

C13H18N2O4S — CID 47126271

IUPAC[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H18N2O4S/c16-13(11-1-7-19-9-11)15-5-3-14(4-6-15)12-2-8-20(17,18)10-12/h1,7,9,12H,2-6,8,10H2
InChIKeyZIJPBZOMFHZMBX-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.22
Rot. Bonds2

About [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone

[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 47126271) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID47126271
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C13H18N2O4S/c16-13(11-1-7-19-9-11)15-5-3-14(4-6-15)12-2-8-20(17,18)10-12/h1,7,9,12H,2-6,8,10H2
InChIKeyZIJPBZOMFHZMBX-UHFFFAOYSA-N
XLogP0.22
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-propylphenyl)methanone
CID 47719992
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 56827963
(2,3-dichlorophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 134033948
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[4-(5-methyltetrazol-1-yl)phenyl]methanone
CID 95390918
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70752368
furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 99816902
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 8530163
2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]phenyl]benzonitrile
CID 26009658
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 55686594
4-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]benzoic acid
CID 52983630
4-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106465
(2-anilinophenyl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 71944338

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone (CID 47126271) is [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is ZIJPBZOMFHZMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(11-1-7-19-9-11)15-5-3-14(4-6-15)12-2-8-20(17,18)10-12/h1,7,9,12H,2-6,8,10H2.
What are the key properties of [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone?
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 298.36 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 47126271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).