methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate

C11H18F3NO4S — CID 103343141

IUPACmethyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c1-15(7-6-11(12,13)14)20(17,18)9-5-3-4-8(9)10(16)19-2/h8-9H,3-7H2,1-2H3
InChIKeySXJAWBYNTSVVRP-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.54
Rot. Bonds5

About methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343141) has the molecular formula C11H18F3NO4S and a molecular weight of 317.33 g/mol. Its IUPAC name is methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343141
Molecular FormulaC11H18F3NO4S
Molecular Weight317.33 g/mol
Exact Mass317.09
IUPAC Namemethyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO4S/c1-15(7-6-11(12,13)14)20(17,18)9-5-3-4-8(9)10(16)19-2/h8-9H,3-7H2,1-2H3
InChIKeySXJAWBYNTSVVRP-UHFFFAOYSA-N
XLogP1.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342260
Methyl 2-[methyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342540
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342603
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342604
Methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342620
2-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342621
Methyl 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342622
Methyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342699
Methyl 2-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342839
Methyl 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342841
Methyl 2-(3,3,3-trifluoropropylsulfamoyl)cyclopentane-1-carboxylate
CID 103342984

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343141) is methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N(C)CCC(F)(F)F.
What is the InChIKey of methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is SXJAWBYNTSVVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4S/c1-15(7-6-11(12,13)14)20(17,18)9-5-3-4-8(9)10(16)19-2/h8-9H,3-7H2,1-2H3.
What are the key properties of methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 317.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).