2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone

C9H18FN3O3S — CID 162699540

IUPAC2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)C(F)S(=O)(=O)CCN)CC1
InChIInChI=1S/C9H18FN3O3S/c1-12-3-5-13(6-4-12)9(14)8(10)17(15,16)7-2-11/h8H,2-7,11H2,1H3
InChIKeyIYLMTEVNTCOBEA-UHFFFAOYSA-N
MW267.33 g/mol
LogP-1.57
Rot. Bonds4

About 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone

2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 162699540) has the molecular formula C9H18FN3O3S and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID162699540
Molecular FormulaC9H18FN3O3S
Molecular Weight267.33 g/mol
Exact Mass267.11
IUPAC Name2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)C(F)S(=O)(=O)CCN)CC1
InChIInChI=1S/C9H18FN3O3S/c1-12-3-5-13(6-4-12)9(14)8(10)17(15,16)7-2-11/h8H,2-7,11H2,1H3
InChIKeyIYLMTEVNTCOBEA-UHFFFAOYSA-N
XLogP-1.57
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Aminoethylsulfanyl)-2-fluoro-1-piperazin-1-ylethanone
CID 153586717
2-(2-Aminoethylsulfonyl)-2-fluoro-1-piperazin-1-ylethanone
CID 162699538
2-(2-Aminoethylsulfonyl)-2-fluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 162699548
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958303
1-(3-Ethylsulfonylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261285
2-(Difluoromethylsulfonyl)-1-piperazin-1-ylethanone
CID 82511557
2-(Difluoromethylsulfonyl)-1-piperazin-1-ylpropan-1-one
CID 82511985
2,2,2-Trifluoro-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]ethanone
CID 95753426
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylsulfonylacetamide
CID 107493321
N-(2-aminoethyl)-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 107493590
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120810715

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone (CID 162699540) is 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)C(F)S(=O)(=O)CCN)CC1.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is IYLMTEVNTCOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O3S/c1-12-3-5-13(6-4-12)9(14)8(10)17(15,16)7-2-11/h8H,2-7,11H2,1H3.
What are the key properties of 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone?
2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 267.33 g/mol, XLogP of -1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-2-fluoro-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 162699540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).