N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide

C16H23N3O5S — CID 108989783

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O5S/c1-2-19(13-5-11-25(22,23)12-13)16(21)18-8-6-17(7-9-18)15(20)14-4-3-10-24-14/h3-4,10,13H,2,5-9,11-12H2,1H3
InChIKeyAAHFPCCUAWNOQG-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.67
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 108989783) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID108989783
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23N3O5S/c1-2-19(13-5-11-25(22,23)12-13)16(21)18-8-6-17(7-9-18)15(20)14-4-3-10-24-14/h3-4,10,13H,2,5-9,11-12H2,1H3
InChIKeyAAHFPCCUAWNOQG-UHFFFAOYSA-N
XLogP0.67
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108527228
N-(1,1-dioxothiolan-3-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpropanamide
CID 109026593
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108989785
4-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpiperazine-1-carboxamide
CID 108989780
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108989782
N-(1,1-dioxothiolan-3-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 110706168
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046113
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(furan-2-yl)ethanone
CID 43227354
N-[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51472064
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051668

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 108989783) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide is CCN(C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is AAHFPCCUAWNOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-2-19(13-5-11-25(22,23)12-13)16(21)18-8-6-17(7-9-18)15(20)14-4-3-10-24-14/h3-4,10,13H,2,5-9,11-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 108989783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).