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

C10H16F3NO4S — CID 103343140

IUPAC2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CCC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H16F3NO4S/c1-14(6-5-10(11,12)13)19(17,18)8-4-2-3-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyFCDCVXRKOCDAKJ-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.45
Rot. Bonds5

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

2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103343140) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103343140
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CCC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H16F3NO4S/c1-14(6-5-10(11,12)13)19(17,18)8-4-2-3-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyFCDCVXRKOCDAKJ-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103343140) is 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid is CN(CCC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FCDCVXRKOCDAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-14(6-5-10(11,12)13)19(17,18)8-4-2-3-7(8)9(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).