4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide

C8H18FN3O2S — CID 119104745

IUPAC4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CCF)CC1
InChIInChI=1S/C8H18FN3O2S/c1-10(2)15(13,14)12-7-5-11(4-3-9)6-8-12/h3-8H2,1-2H3
InChIKeyBCYYMXPAJKHWGT-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.62
Rot. Bonds4

About 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 119104745) has the molecular formula C8H18FN3O2S and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID119104745
Molecular FormulaC8H18FN3O2S
Molecular Weight239.32 g/mol
Exact Mass239.11
IUPAC Name4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CCF)CC1
InChIInChI=1S/C8H18FN3O2S/c1-10(2)15(13,14)12-7-5-11(4-3-9)6-8-12/h3-8H2,1-2H3
InChIKeyBCYYMXPAJKHWGT-UHFFFAOYSA-N
XLogP-0.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylpiperazine-1-sulfonyl Chloride
CID 11171617
4-Methylpiperazine-1-sulfonamide
CID 14326005
4-Ethylpiperazine-1-sulfonamide
CID 43131916
4-Methylpiperazine-1-sulfonyl fluoride
CID 88582037
4-(2-Fluoro-2-methylpropyl)piperazine-1-sulfonamide
CID 176878850
4-(2,2-difluoroethyl)-N,N-diethylpiperazine-1-sulfonamide
CID 53563285
N-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine
CID 121536040
4-(2-Fluoroethyl)piperazine-1-sulfonamide
CID 131036048
4-(2-Fluoroethyl)piperazine-1-sulfonyl chloride
CID 165553788
N,N,4-trimethylpiperazine-1-sulfonamide
CID 1483004
4-ethyl-N,N-dimethylpiperazine-1-sulfonamide
CID 3758380
4-Ethylpiperazine-1-sulfonyl chloride
CID 16781113

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 119104745) is 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is BCYYMXPAJKHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3O2S/c1-10(2)15(13,14)12-7-5-11(4-3-9)6-8-12/h3-8H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 239.32 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 119104745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).