1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine

C10H21FN2O2S — CID 130440602

IUPAC1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine
SMILESCCC(C)N1CCN(S(=O)(=O)CCF)CC1
InChIInChI=1S/C10H21FN2O2S/c1-3-10(2)12-5-7-13(8-6-12)16(14,15)9-4-11/h10H,3-9H2,1-2H3
InChIKeyPFYILZGIPMLHHL-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.70
Rot. Bonds5

About 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine

1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine (PubChem CID 130440602) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine
PubChem CID130440602
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC Name1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine
SMILESCCC(C)N1CCN(S(=O)(=O)CCF)CC1
InChIInChI=1S/C10H21FN2O2S/c1-3-10(2)12-5-7-13(8-6-12)16(14,15)9-4-11/h10H,3-9H2,1-2H3
InChIKeyPFYILZGIPMLHHL-UHFFFAOYSA-N
XLogP0.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butan-2-ylpiperazin-1-yl)sulfonylbutan-1-amine
CID 62774468
1-[(2S)-butan-2-yl]-4-(2-methylpropylsulfonyl)piperazine
CID 130440722
1-butan-2-yl-4-(chloromethylsulfonyl)piperazine
CID 63664982
4-butan-2-ylpiperazine-1-sulfonamide
CID 112692809
methyl 4-(4-butan-2-ylpiperazin-1-yl)sulfonylbutanoate
CID 62773273
1-butan-2-yl-4-cyclobutylsulfonylpiperazine
CID 130440353
2-[4-(3,3-dimethylbutylsulfonyl)piperazin-1-yl]butan-1-amine
CID 103520779
2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 55200813
4-butan-2-ylpiperazine-1-carbonyl chloride
CID 79887170
2-[4-(2-pyridin-4-ylethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 63341357
4-(4-butan-2-ylpiperazin-1-yl)pentanehydrazide
CID 63573948
4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde
CID 89260021

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine (CID 130440602) is 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine is CCC(C)N1CCN(S(=O)(=O)CCF)CC1.
What is the InChIKey of 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine?
The InChIKey is PFYILZGIPMLHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-3-10(2)12-5-7-13(8-6-12)16(14,15)9-4-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine?
1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine has a molecular weight of 252.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-fluoroethylsulfonyl)piperazine is sourced from PubChem (CID 130440602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).