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

C12H20F3NO4S — CID 103342605

IUPACmethyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCCN(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C12H20F3NO4S/c1-3-7-16(8-12(13,14)15)21(18,19)10-6-4-5-9(10)11(17)20-2/h9-10H,3-8H2,1-2H3
InChIKeyAKIAWWOZLDTEFJ-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.93
Rot. Bonds6

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

methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103342605) has the molecular formula C12H20F3NO4S and a molecular weight of 331.36 g/mol. Its IUPAC name is methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103342605
Molecular FormulaC12H20F3NO4S
Molecular Weight331.36 g/mol
Exact Mass331.11
IUPAC Namemethyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCCN(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C12H20F3NO4S/c1-3-7-16(8-12(13,14)15)21(18,19)10-6-4-5-9(10)11(17)20-2/h9-10H,3-8H2,1-2H3
InChIKeyAKIAWWOZLDTEFJ-UHFFFAOYSA-N
XLogP1.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclohexyl(ethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342175
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
methyl 2-[2-hydroxyethyl(pentan-3-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342825
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
CID 120875523
methyl 2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342722
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182
trans-methyl (1R,2S)-2-chlorosulfonylcyclopentane-1-carboxylate
CID 98115809
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 106543941
methyl 2-[cyclopropyl(prop-2-enyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343312

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103342605) is methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate is CCCN(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is AKIAWWOZLDTEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO4S/c1-3-7-16(8-12(13,14)15)21(18,19)10-6-4-5-9(10)11(17)20-2/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 331.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103342605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).