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

C10H13F3N2O2S — CID 54905242

IUPACN-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-18(16,17)7-3-6-15-9-8(10(11,12)13)4-2-5-14-9/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyJBPYWNSTFSYDAI-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.95
Rot. Bonds5

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

N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 54905242) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID54905242
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)CCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-18(16,17)7-3-6-15-9-8(10(11,12)13)4-2-5-14-9/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyJBPYWNSTFSYDAI-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine (CID 54905242) is N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)CCCNc1ncccc1C(F)(F)F.
What is the InChIKey of N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JBPYWNSTFSYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-18(16,17)7-3-6-15-9-8(10(11,12)13)4-2-5-14-9/h2,4-5H,3,6-7H2,1H3,(H,14,15).
What are the key properties of N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(3-methylsulfonylpropyl)-3-(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)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 54905242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).