N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide

C11H20F3N3O2S — CID 120778572

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2S/c1-2-3-8-20(18,19)16-9-10(11(12,13)14)17-6-4-15-5-7-17/h2,10,15-16H,1,3-9H2
InChIKeyNUZCPRBPNGVRGZ-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.32
Rot. Bonds7

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide (PubChem CID 120778572) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide
PubChem CID120778572
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2S/c1-2-3-8-20(18,19)16-9-10(11(12,13)14)17-6-4-15-5-7-17/h2,10,15-16H,1,3-9H2
InChIKeyNUZCPRBPNGVRGZ-UHFFFAOYSA-N
XLogP0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-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

(2S)-1-but-3-enylsulfonyl-2-methylpiperazine
CID 99602422
3,3,3-trifluoro-N,N-dimethyl-2-(pent-4-en-2-ylamino)propane-1-sulfonamide
CID 112740829
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide;hydrochloride
CID 120778571
1-(Azetidin-3-yl)-4-prop-2-enylsulfonylpiperazine
CID 79673612
1-(1-Prop-2-enylsulfonylazetidin-3-yl)piperazine
CID 79673711
N-(2-piperazin-1-ylethyl)prop-2-ene-1-sulfonamide
CID 79674000
2-piperazin-1-yl-N-propan-2-yl-N-prop-2-enylethanesulfonamide
CID 81813361
N-but-3-enyl-2-piperazin-1-ylethanesulfonamide
CID 116035952
N-pent-4-en-2-yl-2-piperazin-1-ylethanesulfonamide
CID 116041735
N-but-3-en-2-yl-2-piperazin-1-ylethanesulfonamide
CID 116148037
1-But-3-enylsulfonylpiperazine;hydrochloride
CID 119961759
1-But-3-enylsulfonylpiperazine
CID 119961760

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide (CID 120778572) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide?
The InChIKey is NUZCPRBPNGVRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c1-2-3-8-20(18,19)16-9-10(11(12,13)14)17-6-4-15-5-7-17/h2,10,15-16H,1,3-9H2.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide has a molecular weight of 315.36 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)but-3-ene-1-sulfonamide is sourced from PubChem (CID 120778572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).