ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate

C10H16F3NO4S — CID 19815319

IUPACethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c1-2-18-9(15)7-5-3-4-6-8(7)14-19(16,17)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyKPMAPYWGVVZFGY-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.55
Rot. Bonds4

About ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate

ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate (PubChem CID 19815319) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate
PubChem CID19815319
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Nameethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c1-2-18-9(15)7-5-3-4-6-8(7)14-19(16,17)10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyKPMAPYWGVVZFGY-UHFFFAOYSA-N
XLogP1.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate (CID 19815319) is ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCCCC1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate?
The InChIKey is KPMAPYWGVVZFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-2-18-9(15)7-5-3-4-6-8(7)14-19(16,17)10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate?
ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate has a molecular weight of 303.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethylsulfonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 19815319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).