5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

C13H14N4O6S — CID 16822023

IUPAC5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H14N4O6S/c18-11-10(8-14-13(20)15-11)24(21,22)17-5-3-16(4-6-17)12(19)9-2-1-7-23-9/h1-2,7-8H,3-6H2,(H2,14,15,18,20)
InChIKeyWGPNCFAQVDPUHR-UHFFFAOYSA-N
MW354.34 g/mol
LogP-1.20
Rot. Bonds3

About 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 16822023) has the molecular formula C13H14N4O6S and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID16822023
Molecular FormulaC13H14N4O6S
Molecular Weight354.34 g/mol
Exact Mass354.06
IUPAC Name5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H14N4O6S/c18-11-10(8-14-13(20)15-11)24(21,22)17-5-3-16(4-6-17)12(19)9-2-1-7-23-9/h1-2,7-8H,3-6H2,(H2,14,15,18,20)
InChIKeyWGPNCFAQVDPUHR-UHFFFAOYSA-N
XLogP-1.20
TPSA136.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
[4-(5-chloro-2-nitrophenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 119041461
[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 17426410
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938480
[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 71907901
furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
CID 46397260
6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20901033
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-(furan-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (CID 16822023) is 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is O=C(c1ccco1)N1CCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is WGPNCFAQVDPUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O6S/c18-11-10(8-14-13(20)15-11)24(21,22)17-5-3-16(4-6-17)12(19)9-2-1-7-23-9/h1-2,7-8H,3-6H2,(H2,14,15,18,20).
What are the key properties of 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 354.34 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 16822023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).