3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid

C12H20F2N2O5S — CID 166273636

IUPAC3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid
SMILESCOC1(CNS(=O)(=O)N2CCC(F)(F)CC2)CC(C(=O)O)C1
InChIInChI=1S/C12H20F2N2O5S/c1-21-11(6-9(7-11)10(17)18)8-15-22(19,20)16-4-2-12(13,14)3-5-16/h9,15H,2-8H2,1H3,(H,17,18)
InChIKeyJRYZDXWNMCLJOL-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.43
Rot. Bonds6

About 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid

3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid (PubChem CID 166273636) has the molecular formula C12H20F2N2O5S and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid
PubChem CID166273636
Molecular FormulaC12H20F2N2O5S
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid
SMILESCOC1(CNS(=O)(=O)N2CCC(F)(F)CC2)CC(C(=O)O)C1
InChIInChI=1S/C12H20F2N2O5S/c1-21-11(6-9(7-11)10(17)18)8-15-22(19,20)16-4-2-12(13,14)3-5-16/h9,15H,2-8H2,1H3,(H,17,18)
InChIKeyJRYZDXWNMCLJOL-UHFFFAOYSA-N
XLogP0.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic 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 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid (CID 166273636) is 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid is COC1(CNS(=O)(=O)N2CCC(F)(F)CC2)CC(C(=O)O)C1.
What is the InChIKey of 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid?
The InChIKey is JRYZDXWNMCLJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O5S/c1-21-11(6-9(7-11)10(17)18)8-15-22(19,20)16-4-2-12(13,14)3-5-16/h9,15H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid?
3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 166273636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).