ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate

C14H26N2O4S — CID 61457503

IUPACethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)CC(=O)OCC
InChIInChI=1S/C14H26N2O4S/c1-3-7-16(21(18,19)10-14(17)20-4-2)13-8-11-5-6-12(9-13)15-11/h11-13,15H,3-10H2,1-2H3
InChIKeyKBBAEZJBAQMDID-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.87
Rot. Bonds7

About ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate

ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate (PubChem CID 61457503) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate
PubChem CID61457503
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Nameethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate
SMILESCCCN(C1CC2CCC(C1)N2)S(=O)(=O)CC(=O)OCC
InChIInChI=1S/C14H26N2O4S/c1-3-7-16(21(18,19)10-14(17)20-4-2)13-8-11-5-6-12(9-13)15-11/h11-13,15H,3-10H2,1-2H3
InChIKeyKBBAEZJBAQMDID-UHFFFAOYSA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate (CID 61457503) is ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate is CCCN(C1CC2CCC(C1)N2)S(=O)(=O)CC(=O)OCC.
What is the InChIKey of ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate?
The InChIKey is KBBAEZJBAQMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-7-16(21(18,19)10-14(17)20-4-2)13-8-11-5-6-12(9-13)15-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate?
ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate has a molecular weight of 318.44 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)sulfamoyl]acetate is sourced from PubChem (CID 61457503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).