N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide

C7H14F3N3O2S — CID 63228038

IUPACN-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)1-2-12-16(14,15)13-5-3-11-4-6-13/h11-12H,1-6H2
InChIKeyYTQIYPZHBYWVKA-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.32
Rot. Bonds4

About N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide

N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide (PubChem CID 63228038) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
PubChem CID63228038
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC NameN-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)1-2-12-16(14,15)13-5-3-11-4-6-13/h11-12H,1-6H2
InChIKeyYTQIYPZHBYWVKA-UHFFFAOYSA-N
XLogP-0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide (CID 63228038) is N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide is O=S(=O)(NCCC(F)(F)F)N1CCNCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The InChIKey is YTQIYPZHBYWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)1-2-12-16(14,15)13-5-3-11-4-6-13/h11-12H,1-6H2.
What are the key properties of N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 63228038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).