4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C9H19F3N4O2S — CID 114803495

IUPAC4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESNCCCN1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H19F3N4O2S/c10-9(11,12)8-14-19(17,18)16-6-4-15(5-7-16)3-1-2-13/h14H,1-8,13H2
InChIKeyCBHGTVCDMBOKJA-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.65
Rot. Bonds6

About 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 114803495) has the molecular formula C9H19F3N4O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID114803495
Molecular FormulaC9H19F3N4O2S
Molecular Weight304.34 g/mol
Exact Mass304.12
IUPAC Name4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESNCCCN1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H19F3N4O2S/c10-9(11,12)8-14-19(17,18)16-6-4-15(5-7-16)3-1-2-13/h14H,1-8,13H2
InChIKeyCBHGTVCDMBOKJA-UHFFFAOYSA-N
XLogP-0.65
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 114803495) is 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is NCCCN1CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is CBHGTVCDMBOKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N4O2S/c10-9(11,12)8-14-19(17,18)16-6-4-15(5-7-16)3-1-2-13/h14H,1-8,13H2.
What are the key properties of 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 304.34 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114803495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).