1-(furan-3-ylsulfonyl)piperazine

C8H12N2O3S — CID 54594774

IUPAC1-(furan-3-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccoc1)N1CCNCC1
InChIInChI=1S/C8H12N2O3S/c11-14(12,8-1-6-13-7-8)10-4-2-9-3-5-10/h1,6-7,9H,2-5H2
InChIKeyVGIMTQNKPWCVPM-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.13
Rot. Bonds2

About 1-(furan-3-ylsulfonyl)piperazine

1-(furan-3-ylsulfonyl)piperazine (PubChem CID 54594774) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(furan-3-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(furan-3-ylsulfonyl)piperazine
PubChem CID54594774
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-(furan-3-ylsulfonyl)piperazine
SMILESO=S(=O)(c1ccoc1)N1CCNCC1
InChIInChI=1S/C8H12N2O3S/c11-14(12,8-1-6-13-7-8)10-4-2-9-3-5-10/h1,6-7,9H,2-5H2
InChIKeyVGIMTQNKPWCVPM-UHFFFAOYSA-N
XLogP-0.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)furan-2-sulfonamide
CID 121553947
N-[(2S)-2-[furan-2-ylsulfonyl(methyl)amino]propyl]furan-2-sulfonamide
CID 124849735
N-cyclohexyl-2-(furan-2-ylsulfonylamino)acetamide
CID 132385541
(2S,6R)-4-(furan-3-ylsulfonyl)-2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 138018317
1-(Furan-2-sulfonyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 136534243
N-(1,2,2-trifluoroethyl)furan-3-sulfonamide
CID 175455716
Furan-3-yl-imino-oxo-pyrrolidin-1-yl-lambda6-sulfane
CID 164671716
N-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-N-methylfuran-2-sulfonamide
CID 99802872
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide;hydrochloride
CID 120876971
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-sulfonamide
CID 120876972
6-Fluoro-1-(furan-2-ylsulfonyl)-6-methyl-1,4-diazepane
CID 128921835
1-(furan-2-ylsulfonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 136574352

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylsulfonyl)piperazine?
The IUPAC name of 1-(furan-3-ylsulfonyl)piperazine (CID 54594774) is 1-(furan-3-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(furan-3-ylsulfonyl)piperazine?
The canonical SMILES for 1-(furan-3-ylsulfonyl)piperazine is O=S(=O)(c1ccoc1)N1CCNCC1.
What is the InChIKey of 1-(furan-3-ylsulfonyl)piperazine?
The InChIKey is VGIMTQNKPWCVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c11-14(12,8-1-6-13-7-8)10-4-2-9-3-5-10/h1,6-7,9H,2-5H2.
What are the key properties of 1-(furan-3-ylsulfonyl)piperazine?
1-(furan-3-ylsulfonyl)piperazine has a molecular weight of 216.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylsulfonyl)piperazine is sourced from PubChem (CID 54594774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).