3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine

C11H18F3NS — CID 129294880

IUPAC3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine
SMILESCC1(NSC(F)(F)F)CC2CCCC(C2)C1
InChIInChI=1S/C11H18F3NS/c1-10(15-16-11(12,13)14)6-8-3-2-4-9(5-8)7-10/h8-9,15H,2-7H2,1H3
InChIKeyNSEAGKQEEPWGLA-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.10
Rot. Bonds2

About 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine

3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine (PubChem CID 129294880) has the molecular formula C11H18F3NS and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine
PubChem CID129294880
Molecular FormulaC11H18F3NS
Molecular Weight253.33 g/mol
Exact Mass253.11
IUPAC Name3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine
SMILESCC1(NSC(F)(F)F)CC2CCCC(C2)C1
InChIInChI=1S/C11H18F3NS/c1-10(15-16-11(12,13)14)6-8-3-2-4-9(5-8)7-10/h8-9,15H,2-7H2,1H3
InChIKeyNSEAGKQEEPWGLA-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine (CID 129294880) is 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine is CC1(NSC(F)(F)F)CC2CCCC(C2)C1.
What is the InChIKey of 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine?
The InChIKey is NSEAGKQEEPWGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NS/c1-10(15-16-11(12,13)14)6-8-3-2-4-9(5-8)7-10/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine?
3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine has a molecular weight of 253.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 129294880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).