4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C9H19F3N4O2S — CID 114804005

IUPAC4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(CN)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H19F3N4O2S/c1-8(6-13)15-2-4-16(5-3-15)19(17,18)14-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeySDYCKLZFXFKDDW-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.65
Rot. Bonds5

About 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 114804005) has the molecular formula C9H19F3N4O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID114804005
Molecular FormulaC9H19F3N4O2S
Molecular Weight304.34 g/mol
Exact Mass304.12
IUPAC Name4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(CN)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H19F3N4O2S/c1-8(6-13)15-2-4-16(5-3-15)19(17,18)14-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeySDYCKLZFXFKDDW-UHFFFAOYSA-N
XLogP-0.65
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 114804005) is 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CC(CN)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is SDYCKLZFXFKDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N4O2S/c1-8(6-13)15-2-4-16(5-3-15)19(17,18)14-7-9(10,11)12/h8,14H,2-7,13H2,1H3.
What are the key properties of 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 304.34 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114804005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).