ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate

C12H24N2O4S — CID 61457353

IUPACethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate
SMILESCCCN(C1CCNCC1)S(=O)(=O)CC(=O)OCC
InChIInChI=1S/C12H24N2O4S/c1-3-9-14(11-5-7-13-8-6-11)19(16,17)10-12(15)18-4-2/h11,13H,3-10H2,1-2H3
InChIKeySEIJZZVZEXNBGX-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.34
Rot. Bonds7

About ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate

ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate (PubChem CID 61457353) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate
PubChem CID61457353
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nameethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate
SMILESCCCN(C1CCNCC1)S(=O)(=O)CC(=O)OCC
InChIInChI=1S/C12H24N2O4S/c1-3-9-14(11-5-7-13-8-6-11)19(16,17)10-12(15)18-4-2/h11,13H,3-10H2,1-2H3
InChIKeySEIJZZVZEXNBGX-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate (CID 61457353) is ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate is CCCN(C1CCNCC1)S(=O)(=O)CC(=O)OCC.
What is the InChIKey of ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate?
The InChIKey is SEIJZZVZEXNBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-9-14(11-5-7-13-8-6-11)19(16,17)10-12(15)18-4-2/h11,13H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate?
ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate has a molecular weight of 292.40 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[piperidin-4-yl(propyl)sulfamoyl]acetate is sourced from PubChem (CID 61457353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).