1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide

C12H22F3NO2S — CID 149016888

IUPAC1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide
SMILESCC1(C)CCCC(C)(NS(=O)(=O)C(F)(F)F)CCC1
InChIInChI=1S/C12H22F3NO2S/c1-10(2)6-4-8-11(3,9-5-7-10)16-19(17,18)12(13,14)15/h16H,4-9H2,1-3H3
InChIKeyQCSCZQPNDYFHGX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.56
Rot. Bonds2

About 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide

1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide (PubChem CID 149016888) has the molecular formula C12H22F3NO2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide
PubChem CID149016888
Molecular FormulaC12H22F3NO2S
Molecular Weight301.37 g/mol
Exact Mass301.13
IUPAC Name1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide
SMILESCC1(C)CCCC(C)(NS(=O)(=O)C(F)(F)F)CCC1
InChIInChI=1S/C12H22F3NO2S/c1-10(2)6-4-8-11(3,9-5-7-10)16-19(17,18)12(13,14)15/h16H,4-9H2,1-3H3
InChIKeyQCSCZQPNDYFHGX-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide (CID 149016888) is 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide is CC1(C)CCCC(C)(NS(=O)(=O)C(F)(F)F)CCC1.
What is the InChIKey of 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide?
The InChIKey is QCSCZQPNDYFHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2S/c1-10(2)6-4-8-11(3,9-5-7-10)16-19(17,18)12(13,14)15/h16H,4-9H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide?
1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 3.56, 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-(1,5,5-trimethylcyclooctyl)methanesulfonamide is sourced from PubChem (CID 149016888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).