N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide

C10H15F3N4O2S — CID 106333885

IUPACN-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C10H15F3N4O2S/c1-20(18,19)17-4-2-3-15-8-5-9(10(11,12)13)16-6-7(8)14/h5-6,17H,2-4,14H2,1H3,(H,15,16)
InChIKeyQPEXFKGKQJFTPH-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.03
Rot. Bonds6

About N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide

N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide (PubChem CID 106333885) has the molecular formula C10H15F3N4O2S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
PubChem CID106333885
Molecular FormulaC10H15F3N4O2S
Molecular Weight312.32 g/mol
Exact Mass312.09
IUPAC NameN-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C10H15F3N4O2S/c1-20(18,19)17-4-2-3-15-8-5-9(10(11,12)13)16-6-7(8)14/h5-6,17H,2-4,14H2,1H3,(H,15,16)
InChIKeyQPEXFKGKQJFTPH-UHFFFAOYSA-N
XLogP1.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide 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-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747673
4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748029
2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol
CID 106308969
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
N-[3-(2-amino-5-bromoanilino)propyl]methanesulfonamide
CID 114174825
N-[3-[(2-amino-4-pyridinyl)amino]propyl]methanesulfonamide
CID 106331979
4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 114107351
4-N-(4-imidazol-1-ylbutyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747604
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141475

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide (CID 106333885) is N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide?
The InChIKey is QPEXFKGKQJFTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S/c1-20(18,19)17-4-2-3-15-8-5-9(10(11,12)13)16-6-7(8)14/h5-6,17H,2-4,14H2,1H3,(H,15,16).
What are the key properties of N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide?
N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide has a molecular weight of 312.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 106333885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).