methyl 2-(piperidin-4-ylsulfamoyl)acetate

C8H16N2O4S — CID 61357984

IUPACmethyl 2-(piperidin-4-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCNCC1
InChIInChI=1S/C8H16N2O4S/c1-14-8(11)6-15(12,13)10-7-2-4-9-5-3-7/h7,9-10H,2-6H2,1H3
InChIKeyZCGDCLOYVYILBA-UHFFFAOYSA-N
MW236.29 g/mol
LogP-1.17
Rot. Bonds4

About methyl 2-(piperidin-4-ylsulfamoyl)acetate

methyl 2-(piperidin-4-ylsulfamoyl)acetate (PubChem CID 61357984) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl 2-(piperidin-4-ylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(piperidin-4-ylsulfamoyl)acetate
PubChem CID61357984
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Namemethyl 2-(piperidin-4-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCNCC1
InChIInChI=1S/C8H16N2O4S/c1-14-8(11)6-15(12,13)10-7-2-4-9-5-3-7/h7,9-10H,2-6H2,1H3
InChIKeyZCGDCLOYVYILBA-UHFFFAOYSA-N
XLogP-1.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidin-4-ylsulfamoyl)acetate?
The IUPAC name of methyl 2-(piperidin-4-ylsulfamoyl)acetate (CID 61357984) is methyl 2-(piperidin-4-ylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(piperidin-4-ylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(piperidin-4-ylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NC1CCNCC1.
What is the InChIKey of methyl 2-(piperidin-4-ylsulfamoyl)acetate?
The InChIKey is ZCGDCLOYVYILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-14-8(11)6-15(12,13)10-7-2-4-9-5-3-7/h7,9-10H,2-6H2,1H3.
What are the key properties of methyl 2-(piperidin-4-ylsulfamoyl)acetate?
methyl 2-(piperidin-4-ylsulfamoyl)acetate has a molecular weight of 236.29 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-4-ylsulfamoyl)acetate is sourced from PubChem (CID 61357984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).