ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate

C11H19F2NO3S — CID 59634335

IUPACethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO3S/c1-4-17-9(15)10(2,3)18(16)14-7-5-11(12,13)6-8-14/h4-8H2,1-3H3
InChIKeyROQWQWLFDUMEJP-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.72
Rot. Bonds4

About ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate

ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate (PubChem CID 59634335) has the molecular formula C11H19F2NO3S and a molecular weight of 283.34 g/mol. Its IUPAC name is ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate
PubChem CID59634335
Molecular FormulaC11H19F2NO3S
Molecular Weight283.34 g/mol
Exact Mass283.11
IUPAC Nameethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO3S/c1-4-17-9(15)10(2,3)18(16)14-7-5-11(12,13)6-8-14/h4-8H2,1-3H3
InChIKeyROQWQWLFDUMEJP-UHFFFAOYSA-N
XLogP1.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate 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

Ethyl 2-(4,4-difluoropiperidin-1-yl)sulfonyl-2-methylpropanoate
CID 59634283
2-(4,4-Difluoropiperidin-1-yl)sulfinyl-2-methylpropanoic acid
CID 89575627
Methyl 2-methyl-2-[4-(trifluoromethylsulfonyloxy)piperidin-1-yl]sulfonylpropanoate
CID 140451228
Ethyl 2-(4-methoxypiperidin-1-yl)sulfinyl-2-methylpropanoate
CID 59634179
Ethyl 2-methyl-2-piperidin-1-ylsulfinylpropanoate
CID 59634224
Ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate
CID 59634245
Ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate
CID 59634321

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate?
The IUPAC name of ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate (CID 59634335) is ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate is CCOC(=O)C(C)(C)S(=O)N1CCC(F)(F)CC1.
What is the InChIKey of ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate?
The InChIKey is ROQWQWLFDUMEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3S/c1-4-17-9(15)10(2,3)18(16)14-7-5-11(12,13)6-8-14/h4-8H2,1-3H3.
What are the key properties of ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate?
ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate has a molecular weight of 283.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,4-difluoropiperidin-1-yl)sulfinyl-2-methylpropanoate is sourced from PubChem (CID 59634335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).