2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone

C8H16FN3O3S — CID 162699538

IUPAC2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone
SMILESNCCS(=O)(=O)C(F)C(=O)N1CCNCC1
InChIInChI=1S/C8H16FN3O3S/c9-7(16(14,15)6-1-10)8(13)12-4-2-11-3-5-12/h7,11H,1-6,10H2
InChIKeyVQUJSNKDXJSAEB-UHFFFAOYSA-N
MW253.30 g/mol
LogP-1.91
Rot. Bonds4

About 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone

2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone (PubChem CID 162699538) has the molecular formula C8H16FN3O3S and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone
PubChem CID162699538
Molecular FormulaC8H16FN3O3S
Molecular Weight253.30 g/mol
Exact Mass253.09
IUPAC Name2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone
SMILESNCCS(=O)(=O)C(F)C(=O)N1CCNCC1
InChIInChI=1S/C8H16FN3O3S/c9-7(16(14,15)6-1-10)8(13)12-4-2-11-3-5-12/h7,11H,1-6,10H2
InChIKeyVQUJSNKDXJSAEB-UHFFFAOYSA-N
XLogP-1.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperazin-1-ylsulfonylethanamine
CID 16762501
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
3-methylsulfonyl-1-piperazin-1-ylpropan-1-one
CID 61003211
2-amino-1,3-di(piperazin-1-yl)propan-1-one
CID 82511538
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
2-(piperazin-1-ylmethylsulfonyl)-1-pyrrolidin-1-ylpropan-1-one
CID 175318985
2-(3-oxo-3-piperazin-1-ylpropyl)sulfonylacetamide
CID 82182498
3,3,3-trifluoro-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400450
(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione
CID 58010631
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone (CID 162699538) is 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone is NCCS(=O)(=O)C(F)C(=O)N1CCNCC1.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone?
The InChIKey is VQUJSNKDXJSAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3O3S/c9-7(16(14,15)6-1-10)8(13)12-4-2-11-3-5-12/h7,11H,1-6,10H2.
What are the key properties of 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone?
2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone has a molecular weight of 253.30 g/mol, XLogP of -1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone is sourced from PubChem (CID 162699538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).