methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate

C8H16N2O4S — CID 61359732

IUPACmethyl 2-(4-aminopiperidin-1-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C8H16N2O4S/c1-14-8(11)6-15(12,13)10-4-2-7(9)3-5-10/h7H,2-6,9H2,1H3
InChIKeyKBKRQDJYZCVLOP-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.09
Rot. Bonds3

About methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate

methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate (PubChem CID 61359732) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-(4-aminopiperidin-1-yl)sulfonylacetate
PubChem CID61359732
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Namemethyl 2-(4-aminopiperidin-1-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C8H16N2O4S/c1-14-8(11)6-15(12,13)10-4-2-7(9)3-5-10/h7H,2-6,9H2,1H3
InChIKeyKBKRQDJYZCVLOP-UHFFFAOYSA-N
XLogP-1.09
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate?
The IUPAC name of methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate (CID 61359732) is methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate.
What is the SMILES notation for methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate?
The canonical SMILES for methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate is COC(=O)CS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate?
The InChIKey is KBKRQDJYZCVLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-14-8(11)6-15(12,13)10-4-2-7(9)3-5-10/h7H,2-6,9H2,1H3.
What are the key properties of methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate?
methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate has a molecular weight of 236.29 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminopiperidin-1-yl)sulfonylacetate is sourced from PubChem (CID 61359732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).