4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid

C14H21N3O8S — CID 121077548

IUPAC4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid
SMILESCN(C)S(=O)(=O)N1CCN(CC(=O)c2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H19N3O4S.C2H2O4/c1-13(2)20(17,18)15-7-5-14(6-8-15)10-11(16)12-4-3-9-19-12;3-1(4)2(5)6/h3-4,9H,5-8,10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMGJLLRDMJHRJLV-UHFFFAOYSA-N
MW391.40 g/mol
LogP-0.96
Rot. Bonds5

About 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid

4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid (PubChem CID 121077548) has the molecular formula C14H21N3O8S and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid
PubChem CID121077548
Molecular FormulaC14H21N3O8S
Molecular Weight391.40 g/mol
Exact Mass391.10
IUPAC Name4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid
SMILESCN(C)S(=O)(=O)N1CCN(CC(=O)c2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H19N3O4S.C2H2O4/c1-13(2)20(17,18)15-7-5-14(6-8-15)10-11(16)12-4-3-9-19-12;3-1(4)2(5)6/h3-4,9H,5-8,10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyMGJLLRDMJHRJLV-UHFFFAOYSA-N
XLogP-0.96
TPSA148.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780737
1-(furan-2-yl)-2-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780739
1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780728
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(furan-2-yl)-2-oxoethyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780763
N-benzyl-4-(furan-2-carbonyl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 131918040
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780727

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid?
The IUPAC name of 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid (CID 121077548) is 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid.
What is the SMILES notation for 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid?
The canonical SMILES for 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid is CN(C)S(=O)(=O)N1CCN(CC(=O)c2ccco2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid?
The InChIKey is MGJLLRDMJHRJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S.C2H2O4/c1-13(2)20(17,18)15-7-5-14(6-8-15)10-11(16)12-4-3-9-19-12;3-1(4)2(5)6/h3-4,9H,5-8,10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid?
4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid has a molecular weight of 391.40 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid is sourced from PubChem (CID 121077548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).