2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C7H10F3NO4S — CID 79792490

IUPAC2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)C1CC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c1-6(5(12)13,7(8,9)10)11-16(14,15)4-2-3-4/h4,11H,2-3H2,1H3,(H,12,13)
InChIKeyKDZWIWIDNUYHNZ-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.47
Rot. Bonds4

About 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79792490) has the molecular formula C7H10F3NO4S and a molecular weight of 261.22 g/mol. Its IUPAC name is 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79792490
Molecular FormulaC7H10F3NO4S
Molecular Weight261.22 g/mol
Exact Mass261.03
IUPAC Name2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NS(=O)(=O)C1CC1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c1-6(5(12)13,7(8,9)10)11-16(14,15)4-2-3-4/h4,11H,2-3H2,1H3,(H,12,13)
InChIKeyKDZWIWIDNUYHNZ-UHFFFAOYSA-N
XLogP0.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79792490) is 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CC(NS(=O)(=O)C1CC1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is KDZWIWIDNUYHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4S/c1-6(5(12)13,7(8,9)10)11-16(14,15)4-2-3-4/h4,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 261.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfonylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79792490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).