4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide

C7H14F3N3O2S — CID 168812873

IUPAC4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)1-2-12-3-5-13(6-4-12)16(11,14)15/h1-6H2,(H2,11,14,15)
InChIKeyXYMBRMWHPMLRGY-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.24
Rot. Bonds3

About 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide

4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide (PubChem CID 168812873) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
PubChem CID168812873
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)1-2-12-3-5-13(6-4-12)16(11,14)15/h1-6H2,(H2,11,14,15)
InChIKeyXYMBRMWHPMLRGY-UHFFFAOYSA-N
XLogP-0.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2,2-Trifluoroethyl)piperazine-1-sulfonylchloride
CID 121600089
4-(2,2-Difluoroethyl)piperazine-1-sulfonyl chloride
CID 138040366
4-(1,1,1-Trifluoropropan-2-yl)piperazine-1-sulfonamide
CID 71977823
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfonic acid
CID 68565231
4-(2,2,2-Trifluoroethyl)piperazine-1-sulfinate
CID 89881760
2,2-Dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
CID 168813128
N-butyl-N-methyl-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-sulfonamide
CID 72013749
2-[1,1-Dioxo-6-(2,2,2-trifluoroethyl)-1,2,6-thiadiazinan-2-yl]ethanamine
CID 84806754
4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazine-1-sulfonamide
CID 97592871
4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-sulfonamide
CID 97592872
N,N,3,4-tetramethyl-5-(trifluoromethyl)piperazine-1-sulfonamide
CID 108482731
4-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114807160

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide (CID 168812873) is 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The InChIKey is XYMBRMWHPMLRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)1-2-12-3-5-13(6-4-12)16(11,14)15/h1-6H2,(H2,11,14,15).
What are the key properties of 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 168812873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).