2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine

C7H15F2N3O2S — CID 43252218

IUPAC2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H15F2N3O2S/c8-7(9)15(13,14)12-5-3-11(2-1-10)4-6-12/h7H,1-6,10H2
InChIKeyNWJRACOYLRBPRM-UHFFFAOYSA-N
MW243.28 g/mol
LogP-0.88
Rot. Bonds4

About 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine

2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine (PubChem CID 43252218) has the molecular formula C7H15F2N3O2S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine
PubChem CID43252218
Molecular FormulaC7H15F2N3O2S
Molecular Weight243.28 g/mol
Exact Mass243.09
IUPAC Name2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H15F2N3O2S/c8-7(9)15(13,14)12-5-3-11(2-1-10)4-6-12/h7H,1-6,10H2
InChIKeyNWJRACOYLRBPRM-UHFFFAOYSA-N
XLogP-0.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine (CID 43252218) is 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine is NCCN1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine?
The InChIKey is NWJRACOYLRBPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O2S/c8-7(9)15(13,14)12-5-3-11(2-1-10)4-6-12/h7H,1-6,10H2.
What are the key properties of 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine?
2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine has a molecular weight of 243.28 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 43252218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).