3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol

C11H18F3NOS — CID 129294863

IUPAC3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol
SMILESCC1(NSC(F)(F)F)CC2CCCC(O)(C2)C1
InChIInChI=1S/C11H18F3NOS/c1-9(15-17-11(12,13)14)5-8-3-2-4-10(16,6-8)7-9/h8,15-16H,2-7H2,1H3
InChIKeyCLNBHZPKTKHYOR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.22
Rot. Bonds2

About 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol

3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol (PubChem CID 129294863) has the molecular formula C11H18F3NOS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol
PubChem CID129294863
Molecular FormulaC11H18F3NOS
Molecular Weight269.33 g/mol
Exact Mass269.11
IUPAC Name3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol
SMILESCC1(NSC(F)(F)F)CC2CCCC(O)(C2)C1
InChIInChI=1S/C11H18F3NOS/c1-9(15-17-11(12,13)14)5-8-3-2-4-10(16,6-8)7-9/h8,15-16H,2-7H2,1H3
InChIKeyCLNBHZPKTKHYOR-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
CID 148598782
bicyclo[5.3.1]undecan-1-ol
CID 14867023
1,1-difluoro-2-[(3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]-2-oxoethanesulfonic acid
CID 134384353
bicyclo[2.1.1]hexan-1-ol
CID 14867020
(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol
CID 99984864
1,1,1,2-tetrafluoro-3-[(3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)oxy]-3-oxopropane-2-sulfonic acid
CID 139393154
3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid
CID 130311004
(1R,3S,5S)-3-methylbicyclo[3.3.1]nonane-1,3-dicarboxylic acid
CID 90772732
[1-hydroxy-3-(2-hydroxyethyl)-3-bicyclo[3.3.1]nonanyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 91041511
3-methylbicyclo[3.3.3]undecan-3-ol
CID 18336100
1-hydroxy-3,3-dimethylbicyclo[3.3.1]nonan-2-one
CID 85230357
[3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium
CID 147749316

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol?
The IUPAC name of 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol (CID 129294863) is 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol.
What is the SMILES notation for 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol?
The canonical SMILES for 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol is CC1(NSC(F)(F)F)CC2CCCC(O)(C2)C1.
What is the InChIKey of 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol?
The InChIKey is CLNBHZPKTKHYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NOS/c1-9(15-17-11(12,13)14)5-8-3-2-4-10(16,6-8)7-9/h8,15-16H,2-7H2,1H3.
What are the key properties of 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol?
3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol has a molecular weight of 269.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol is sourced from PubChem (CID 129294863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).