1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine

C10H16F3N3O2S — CID 114490303

IUPAC1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine
SMILESO=S(=O)(N1CC=C(C(F)(F)F)CC1)N1CCNCC1
InChIInChI=1S/C10H16F3N3O2S/c11-10(12,13)9-1-5-15(6-2-9)19(17,18)16-7-3-14-4-8-16/h1,14H,2-8H2
InChIKeyNIJWYTOWFWMBRY-UHFFFAOYSA-N
MW299.32 g/mol
LogP0.33
Rot. Bonds2

About 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine

1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine (PubChem CID 114490303) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine
PubChem CID114490303
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC Name1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine
SMILESO=S(=O)(N1CC=C(C(F)(F)F)CC1)N1CCNCC1
InChIInChI=1S/C10H16F3N3O2S/c11-10(12,13)9-1-5-15(6-2-9)19(17,18)16-7-3-14-4-8-16/h1,14H,2-8H2
InChIKeyNIJWYTOWFWMBRY-UHFFFAOYSA-N
XLogP0.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine 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

1-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperazine
CID 114411245
1-(chloromethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490511
1-(benzenesulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770434
3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 114490490
1-[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]piperazine
CID 114460472
1-piperazin-1-ylsulfonyl-1,4-diazepan-5-one
CID 55135469
5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pyridin-2-amine
CID 114489388
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 114491119
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanamine
CID 114491053
2-amino-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenol
CID 114489353
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanol
CID 114490935
N-[4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butyl]cyclopropanamine
CID 114491114

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine?
The IUPAC name of 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine (CID 114490303) is 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine.
What is the SMILES notation for 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine?
The canonical SMILES for 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine is O=S(=O)(N1CC=C(C(F)(F)F)CC1)N1CCNCC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine?
The InChIKey is NIJWYTOWFWMBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c11-10(12,13)9-1-5-15(6-2-9)19(17,18)16-7-3-14-4-8-16/h1,14H,2-8H2.
What are the key properties of 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine?
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine has a molecular weight of 299.32 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine is sourced from PubChem (CID 114490303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).