N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide

C10H18F3N3O2S — CID 114491119

IUPACN-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2S/c1-15(6-2-5-14)19(17,18)16-7-3-9(4-8-16)10(11,12)13/h3H,2,4-8,14H2,1H3
InChIKeyAGKJBWFVKOHXGG-UHFFFAOYSA-N
MW301.33 g/mol
LogP0.71
Rot. Bonds5

About N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide

N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 114491119) has the molecular formula C10H18F3N3O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID114491119
Molecular FormulaC10H18F3N3O2S
Molecular Weight301.33 g/mol
Exact Mass301.11
IUPAC NameN-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2S/c1-15(6-2-5-14)19(17,18)16-7-3-9(4-8-16)10(11,12)13/h3H,2,4-8,14H2,1H3
InChIKeyAGKJBWFVKOHXGG-UHFFFAOYSA-N
XLogP0.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-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

N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 114414187
1-(chloromethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490511
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanamine
CID 114491053
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 114413859
1-(benzenesulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 115770434
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
N-(3-aminopropyl)-N-methyl-8-azaspiro[4.5]decane-8-sulfonamide
CID 63159100
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine
CID 114490303
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
(4aR,8aR)-N-(3-aminopropyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 102726076
N-(3-aminopropyl)-N,3,4,5-tetramethylpiperazine-1-sulfonamide
CID 114545497

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 114491119) is N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is AGKJBWFVKOHXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2S/c1-15(6-2-5-14)19(17,18)16-7-3-9(4-8-16)10(11,12)13/h3H,2,4-8,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide?
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 301.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 114491119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).