3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

C10H16F3NO4S — CID 60950822

IUPAC3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H16F3NO4S/c1-7(8-2-3-8)14(6-10(11,12)13)19(17,18)5-4-9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyISCSKNZZBNTMGI-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.45
Rot. Bonds7

About 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (PubChem CID 60950822) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
PubChem CID60950822
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H16F3NO4S/c1-7(8-2-3-8)14(6-10(11,12)13)19(17,18)5-4-9(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyISCSKNZZBNTMGI-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950823
3-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60951576
2-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60952168
4-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60952310
3-[Pentan-3-yl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952311

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (CID 60950822) is 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The InChIKey is ISCSKNZZBNTMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-7(8-2-3-8)14(6-10(11,12)13)19(17,18)5-4-9(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60950822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).