methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate

C13H24N2O6S — CID 118916051

IUPACmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O6S/c1-13(2,3)21-12(17)14-10-5-7-15(8-6-10)22(18,19)9-11(16)20-4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyOFSNPNQMDNHTCD-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate

methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate (PubChem CID 118916051) has the molecular formula C13H24N2O6S and a molecular weight of 336.41 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate
PubChem CID118916051
Molecular FormulaC13H24N2O6S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O6S/c1-13(2,3)21-12(17)14-10-5-7-15(8-6-10)22(18,19)9-11(16)20-4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyOFSNPNQMDNHTCD-UHFFFAOYSA-N
XLogP0.48
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate (CID 118916051) is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate?
The InChIKey is OFSNPNQMDNHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6S/c1-13(2,3)21-12(17)14-10-5-7-15(8-6-10)22(18,19)9-11(16)20-4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate?
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate has a molecular weight of 336.41 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylacetate is sourced from PubChem (CID 118916051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).