2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid

C9H15F2NO4S — CID 59634308

IUPAC2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO4S/c1-8(2,7(13)14)17(15,16)12-5-3-9(10,11)4-6-12/h3-6H2,1-2H3,(H,13,14)
InChIKeyDEFFDARMJJWDNH-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.91
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid

2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid (PubChem CID 59634308) has the molecular formula C9H15F2NO4S and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid
PubChem CID59634308
Molecular FormulaC9H15F2NO4S
Molecular Weight271.28 g/mol
Exact Mass271.07
IUPAC Name2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO4S/c1-8(2,7(13)14)17(15,16)12-5-3-9(10,11)4-6-12/h3-6H2,1-2H3,(H,13,14)
InChIKeyDEFFDARMJJWDNH-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-difluoropiperidin-1-yl)sulfonyl-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

Related Compounds

1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527731
Ethyl 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoate
CID 59634283
2,2,3,3,4,4-Hexafluoro-4-piperidin-1-ylsulfonylbutaneperoxoic acid
CID 59817175
2-(4,4-Difluoropiperidin-1-yl)sulfinyl-2-methylpropanoic acid
CID 89575627
2,2,3,3,4,4-Hexafluoro-4-piperidin-1-ylsulfonylbutanoic acid
CID 123342681
2-(4,4-Difluoropiperidin-1-yl)sulfanyl-2-methylpropanoic acid
CID 143803365
1-Methylsulfonylpiperidine;2,2,2-trifluoroacetic acid
CID 158430149
4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 54936614
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 54947178
3-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60917680
2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylacetic acid
CID 60917775
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 65533660

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid (CID 59634308) is 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid?
The InChIKey is DEFFDARMJJWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4S/c1-8(2,7(13)14)17(15,16)12-5-3-9(10,11)4-6-12/h3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid?
2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid has a molecular weight of 271.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoic acid is sourced from PubChem (CID 59634308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).