1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine

C10H21FN2O2S — CID 121194222

IUPAC1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine
SMILESCC(C)CS(=O)(=O)N1CCN(CCF)CC1
InChIInChI=1S/C10H21FN2O2S/c1-10(2)9-16(14,15)13-7-5-12(4-3-11)6-8-13/h10H,3-9H2,1-2H3
InChIKeyNYQFOHSDKLCFFB-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.56
Rot. Bonds5

About 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine

1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine (PubChem CID 121194222) has the molecular formula C10H21FN2O2S and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine
PubChem CID121194222
Molecular FormulaC10H21FN2O2S
Molecular Weight252.35 g/mol
Exact Mass252.13
IUPAC Name1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine
SMILESCC(C)CS(=O)(=O)N1CCN(CCF)CC1
InChIInChI=1S/C10H21FN2O2S/c1-10(2)9-16(14,15)13-7-5-12(4-3-11)6-8-13/h10H,3-9H2,1-2H3
InChIKeyNYQFOHSDKLCFFB-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine?
The IUPAC name of 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine (CID 121194222) is 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine?
The canonical SMILES for 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine is CC(C)CS(=O)(=O)N1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine?
The InChIKey is NYQFOHSDKLCFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O2S/c1-10(2)9-16(14,15)13-7-5-12(4-3-11)6-8-13/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine?
1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine has a molecular weight of 252.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(2-methylpropylsulfonyl)piperazine is sourced from PubChem (CID 121194222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).