methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate

C11H21NO4S — CID 64674979

IUPACmethyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate
SMILESCCCNC(CS(=O)(=O)CC(=O)OC)C1CC1
InChIInChI=1S/C11H21NO4S/c1-3-6-12-10(9-4-5-9)7-17(14,15)8-11(13)16-2/h9-10,12H,3-8H2,1-2H3
InChIKeyZBAPBULIOGVCDN-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.35
Rot. Bonds8

About methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate

methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate (PubChem CID 64674979) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate
PubChem CID64674979
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate
SMILESCCCNC(CS(=O)(=O)CC(=O)OC)C1CC1
InChIInChI=1S/C11H21NO4S/c1-3-6-12-10(9-4-5-9)7-17(14,15)8-11(13)16-2/h9-10,12H,3-8H2,1-2H3
InChIKeyZBAPBULIOGVCDN-UHFFFAOYSA-N
XLogP0.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate?
The IUPAC name of methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate (CID 64674979) is methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate is CCCNC(CS(=O)(=O)CC(=O)OC)C1CC1.
What is the InChIKey of methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate?
The InChIKey is ZBAPBULIOGVCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-6-12-10(9-4-5-9)7-17(14,15)8-11(13)16-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate?
methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate has a molecular weight of 263.36 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-cyclopropyl-2-(propylamino)ethyl]sulfonylacetate is sourced from PubChem (CID 64674979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).