[4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate

C11H16F3NO4S — CID 58980488

IUPAC[4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4S/c1-7(2)10(16)19-9-5-3-8(4-6-9)15-20(17,18)11(12,13)14/h8-9,15H,1,3-6H2,2H3
InChIKeyVJOPINUVANQMID-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.86
Rot. Bonds4

About [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate

[4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 58980488) has the molecular formula C11H16F3NO4S and a molecular weight of 315.31 g/mol. Its IUPAC name is [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate
PubChem CID58980488
Molecular FormulaC11H16F3NO4S
Molecular Weight315.31 g/mol
Exact Mass315.08
IUPAC Name[4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4S/c1-7(2)10(16)19-9-5-3-8(4-6-9)15-20(17,18)11(12,13)14/h8-9,15H,1,3-6H2,2H3
InChIKeyVJOPINUVANQMID-UHFFFAOYSA-N
XLogP1.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate (CID 58980488) is [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(NS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is VJOPINUVANQMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4S/c1-7(2)10(16)19-9-5-3-8(4-6-9)15-20(17,18)11(12,13)14/h8-9,15H,1,3-6H2,2H3.
What are the key properties of [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate?
[4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 315.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfonylamino)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 58980488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).