methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate

C11H18F3NO4S — CID 103343292

IUPACmethyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c1-19-10(16)8-4-2-5-9(8)20(17,18)15-7-3-6-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyMZNOWJTZGNZSID-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.59
Rot. Bonds6

About methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103343292) has the molecular formula C11H18F3NO4S and a molecular weight of 317.33 g/mol. Its IUPAC name is methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103343292
Molecular FormulaC11H18F3NO4S
Molecular Weight317.33 g/mol
Exact Mass317.09
IUPAC Namemethyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c1-19-10(16)8-4-2-5-9(8)20(17,18)15-7-3-6-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyMZNOWJTZGNZSID-UHFFFAOYSA-N
XLogP1.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
CID 83047769
Methyl 6-(4,4,4-trifluorobutylsulfonylamino)hexanoate
CID 83058242
4-Methyl-6-(4,4,4-trifluorobutylsulfonylamino)hexanoic acid
CID 83068844
Methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342260
Methyl 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342540
Methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
Methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342622
Methyl 2-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342839
Methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate
CID 103342984
Methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate
CID 103343039
Methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343141
Methyl 2-(2,2-difluoroethylsulfamoyl)cyclopentane-1-carboxylate
CID 103343291

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate (CID 103343292) is methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCCCC(F)(F)F.
What is the InChIKey of methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is MZNOWJTZGNZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4S/c1-19-10(16)8-4-2-5-9(8)20(17,18)15-7-3-6-11(12,13)14/h8-9,15H,2-7H2,1H3.
What are the key properties of methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 317.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4,4-trifluorobutylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103343292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).