1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine

C10H19F3N4O2S — CID 61252555

IUPAC1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(N1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O2S/c11-10(12,13)9-15-5-7-17(8-6-15)20(18,19)16-3-1-14-2-4-16/h14H,1-9H2
InChIKeyJAMSHFBTYNCRHR-UHFFFAOYSA-N
MW316.35 g/mol
LogP-0.68
Rot. Bonds3

About 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine

1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 61252555) has the molecular formula C10H19F3N4O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID61252555
Molecular FormulaC10H19F3N4O2S
Molecular Weight316.35 g/mol
Exact Mass316.12
IUPAC Name1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=S(=O)(N1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O2S/c11-10(12,13)9-15-5-7-17(8-6-15)20(18,19)16-3-1-14-2-4-16/h14H,1-9H2
InChIKeyJAMSHFBTYNCRHR-UHFFFAOYSA-N
XLogP-0.68
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine (CID 61252555) is 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine is O=S(=O)(N1CCNCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is JAMSHFBTYNCRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2S/c11-10(12,13)9-15-5-7-17(8-6-15)20(18,19)16-3-1-14-2-4-16/h14H,1-9H2.
What are the key properties of 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine?
1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 316.35 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 61252555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).