4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide

C8H18FN3O2S — CID 176878850

IUPAC4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide
SMILESCC(C)(F)CN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H18FN3O2S/c1-8(2,9)7-11-3-5-12(6-4-11)15(10,13)14/h3-7H2,1-2H3,(H2,10,13,14)
InChIKeyZOSMMFSLKREKMW-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.44
Rot. Bonds3

About 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide

4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide (PubChem CID 176878850) has the molecular formula C8H18FN3O2S and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide
PubChem CID176878850
Molecular FormulaC8H18FN3O2S
Molecular Weight239.32 g/mol
Exact Mass239.11
IUPAC Name4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide
SMILESCC(C)(F)CN1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C8H18FN3O2S/c1-8(2,9)7-11-3-5-12(6-4-11)15(10,13)14/h3-7H2,1-2H3,(H2,10,13,14)
InChIKeyZOSMMFSLKREKMW-UHFFFAOYSA-N
XLogP-0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004531
4-(2-iodoethyl)piperazine-1-sulfonamide
CID 130891491
4-methylpiperazine-1-sulfonamide
CID 14326005
1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine
CID 134590740
N,N-dimethyl-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 112683880
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylaniline
CID 61114608
4-[[2-(2-cyanopropan-2-yl)phenyl]methyl]piperazine-1-sulfonamide
CID 71915398
4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide
CID 62677126
1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
CID 120858500
4-(trifluoromethyl)piperidine-1-sulfonamide
CID 58349803
1-ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
CID 71158445

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide (CID 176878850) is 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide is CC(C)(F)CN1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide?
The InChIKey is ZOSMMFSLKREKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3O2S/c1-8(2,9)7-11-3-5-12(6-4-11)15(10,13)14/h3-7H2,1-2H3,(H2,10,13,14).
What are the key properties of 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide?
4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide has a molecular weight of 239.32 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 176878850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).