1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide

C12H18F3NO2S — CID 71076010

IUPAC1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide
SMILESO=S(=O)(NCC1CCC2C3CCC(C3)C12)C(F)(F)F
InChIInChI=1S/C12H18F3NO2S/c13-12(14,15)19(17,18)16-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h7-11,16H,1-6H2
InChIKeyBDIQUIFPXNXUFX-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.50
Rot. Bonds3

About 1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide

1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide (PubChem CID 71076010) has the molecular formula C12H18F3NO2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide
PubChem CID71076010
Molecular FormulaC12H18F3NO2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide
SMILESO=S(=O)(NCC1CCC2C3CCC(C3)C12)C(F)(F)F
InChIInChI=1S/C12H18F3NO2S/c13-12(14,15)19(17,18)16-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h7-11,16H,1-6H2
InChIKeyBDIQUIFPXNXUFX-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.50
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-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide (CID 71076010) is 1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide is O=S(=O)(NCC1CCC2C3CCC(C3)C12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide?
The InChIKey is BDIQUIFPXNXUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2S/c13-12(14,15)19(17,18)16-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h7-11,16H,1-6H2.
What are the key properties of 1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 2.50, 3 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-tricyclo[5.2.1.02,6]decanylmethyl)methanesulfonamide is sourced from PubChem (CID 71076010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).