3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

C13H24N2O5S — CID 166273614

IUPAC3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCOC1(CNS(=O)(=O)N2CCCCC2C)CC(C(=O)O)C1
InChIInChI=1S/C13H24N2O5S/c1-10-5-3-4-6-15(10)21(18,19)14-9-13(20-2)7-11(8-13)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyNVSGTVSUBUVHOG-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.57
Rot. Bonds6

About 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 166273614) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID166273614
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCOC1(CNS(=O)(=O)N2CCCCC2C)CC(C(=O)O)C1
InChIInChI=1S/C13H24N2O5S/c1-10-5-3-4-6-15(10)21(18,19)14-9-13(20-2)7-11(8-13)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyNVSGTVSUBUVHOG-UHFFFAOYSA-N
XLogP0.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4,4-Difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid
CID 166273636
1-[(2-Methoxy-2-methylpropyl)sulfamoyl]piperidine-3-carboxylic acid
CID 104759194
1-[(1-Methoxycyclobutyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 105839409
1-[(1-Methoxycyclobutyl)methylsulfamoyl]piperidine-2-carboxylic acid
CID 105839418
Ethyl 1-[(1-hydroxycyclobutyl)methylsulfamoyl]piperidine-3-carboxylate
CID 115753948
3-[(Azocan-1-ylsulfonylamino)methyl]-3-methoxycyclobutane-1-carboxylic acid
CID 166295202

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (CID 166273614) is 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is COC1(CNS(=O)(=O)N2CCCCC2C)CC(C(=O)O)C1.
What is the InChIKey of 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is NVSGTVSUBUVHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-10-5-3-4-6-15(10)21(18,19)14-9-13(20-2)7-11(8-13)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166273614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).