1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide

C7H14F3N3O2S — CID 43605167

IUPAC1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)16(14,15)12-3-6-13-4-1-11-2-5-13/h11-12H,1-6H2
InChIKeyOIIUCVZVLXVBNB-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.67
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide

1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide (PubChem CID 43605167) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide
PubChem CID43605167
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)16(14,15)12-3-6-13-4-1-11-2-5-13/h11-12H,1-6H2
InChIKeyOIIUCVZVLXVBNB-UHFFFAOYSA-N
XLogP-0.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide (CID 43605167) is 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide is O=S(=O)(NCCN1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide?
The InChIKey is OIIUCVZVLXVBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)16(14,15)12-3-6-13-4-1-11-2-5-13/h11-12H,1-6H2.
What are the key properties of 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-piperazin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 43605167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).