ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate

C11H19N3O4S — CID 61456904

IUPACethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H19N3O4S/c1-3-18-10(15)8-19(16,17)13-11(9-12)4-6-14(2)7-5-11/h13H,3-8H2,1-2H3
InChIKeyZLVAAUVULOYERX-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.54
Rot. Bonds5

About ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate

ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate (PubChem CID 61456904) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate
PubChem CID61456904
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C11H19N3O4S/c1-3-18-10(15)8-19(16,17)13-11(9-12)4-6-14(2)7-5-11/h13H,3-8H2,1-2H3
InChIKeyZLVAAUVULOYERX-UHFFFAOYSA-N
XLogP-0.54
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate (CID 61456904) is ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate?
The InChIKey is ZLVAAUVULOYERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-18-10(15)8-19(16,17)13-11(9-12)4-6-14(2)7-5-11/h13H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate?
ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate has a molecular weight of 289.36 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate is sourced from PubChem (CID 61456904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).