methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate

C12H18F3NO4S — CID 103342841

IUPACmethyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H18F3NO4S/c1-20-11(17)9-3-2-4-10(9)21(18,19)16(8-5-6-8)7-12(13,14)15/h8-10H,2-7H2,1H3
InChIKeyHLBFNJFMZBTXDA-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.68
Rot. Bonds5

About methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342841) has the molecular formula C12H18F3NO4S and a molecular weight of 329.34 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342841
Molecular FormulaC12H18F3NO4S
Molecular Weight329.34 g/mol
Exact Mass329.09
IUPAC Namemethyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H18F3NO4S/c1-20-11(17)9-3-2-4-10(9)21(18,19)16(8-5-6-8)7-12(13,14)15/h8-10H,2-7H2,1H3
InChIKeyHLBFNJFMZBTXDA-UHFFFAOYSA-N
XLogP1.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342841) is methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is HLBFNJFMZBTXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4S/c1-20-11(17)9-3-2-4-10(9)21(18,19)16(8-5-6-8)7-12(13,14)15/h8-10H,2-7H2,1H3.
What are the key properties of methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 329.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).