methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate

C10H16F3NO4S — CID 103342984

IUPACmethyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c1-18-9(15)7-3-2-4-8(7)19(16,17)14-6-5-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyGBQLTJHZWGULKH-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.20
Rot. Bonds5

About methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342984) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342984
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Namemethyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c1-18-9(15)7-3-2-4-8(7)19(16,17)14-6-5-10(11,12)13/h7-8,14H,2-6H2,1H3
InChIKeyGBQLTJHZWGULKH-UHFFFAOYSA-N
XLogP1.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate (CID 103342984) is methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is GBQLTJHZWGULKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-18-9(15)7-3-2-4-8(7)19(16,17)14-6-5-10(11,12)13/h7-8,14H,2-6H2,1H3.
What are the key properties of methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 303.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).