N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C9H18F3N3O2S — CID 61252932

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H18F3N3O2S/c1-8(2)15(7-9(10,11)12)18(16,17)14-5-3-13-4-6-14/h8,13H,3-7H2,1-2H3
InChIKeyBJWJLMQKMCJCQU-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.41
Rot. Bonds4

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 61252932) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID61252932
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H18F3N3O2S/c1-8(2)15(7-9(10,11)12)18(16,17)14-5-3-13-4-6-14/h8,13H,3-7H2,1-2H3
InChIKeyBJWJLMQKMCJCQU-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 61252932) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is BJWJLMQKMCJCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-8(2)15(7-9(10,11)12)18(16,17)14-5-3-13-4-6-14/h8,13H,3-7H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61252932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).