1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide

C11H18F3NO2S — CID 134416364

IUPAC1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)C(F)(F)F)CC2CCCC(C2)C1
InChIInChI=1S/C11H18F3NO2S/c1-10(15-18(16,17)11(12,13)14)6-8-3-2-4-9(5-8)7-10/h8-9,15H,2-7H2,1H3
InChIKeyNAQNBYXAPCRZAD-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.78
Rot. Bonds2

About 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide

1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide (PubChem CID 134416364) has the molecular formula C11H18F3NO2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide
PubChem CID134416364
Molecular FormulaC11H18F3NO2S
Molecular Weight285.33 g/mol
Exact Mass285.10
IUPAC Name1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide
SMILESCC1(NS(=O)(=O)C(F)(F)F)CC2CCCC(C2)C1
InChIInChI=1S/C11H18F3NO2S/c1-10(15-18(16,17)11(12,13)14)6-8-3-2-4-9(5-8)7-10/h8-9,15H,2-7H2,1H3
InChIKeyNAQNBYXAPCRZAD-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide (CID 134416364) is 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide is CC1(NS(=O)(=O)C(F)(F)F)CC2CCCC(C2)C1.
What is the InChIKey of 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide?
The InChIKey is NAQNBYXAPCRZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2S/c1-10(15-18(16,17)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 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide has a molecular weight of 285.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-methyl-3-bicyclo[3.3.1]nonanyl)methanesulfonamide is sourced from PubChem (CID 134416364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).