N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine

C10H13F3N2O2S — CID 54905149

IUPACN-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O2S/c1-18(16,17)6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyRBHWFQAMWXKHAE-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.95
Rot. Bonds5

About N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine

N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 54905149) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID54905149
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O2S/c1-18(16,17)6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyRBHWFQAMWXKHAE-UHFFFAOYSA-N
XLogP1.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine (CID 54905149) is N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)CCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RBHWFQAMWXKHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-18(16,17)6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 282.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 54905149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).