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

C9H17NO4S — CID 64675961

IUPACmethyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate
SMILESCNC(CS(=O)(=O)CC(=O)OC)C1CC1
InChIInChI=1S/C9H17NO4S/c1-10-8(7-3-4-7)5-15(12,13)6-9(11)14-2/h7-8,10H,3-6H2,1-2H3
InChIKeyHOOFUFPDYKGLHC-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.43
Rot. Bonds6

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

methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate (PubChem CID 64675961) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate
PubChem CID64675961
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate
SMILESCNC(CS(=O)(=O)CC(=O)OC)C1CC1
InChIInChI=1S/C9H17NO4S/c1-10-8(7-3-4-7)5-15(12,13)6-9(11)14-2/h7-8,10H,3-6H2,1-2H3
InChIKeyHOOFUFPDYKGLHC-UHFFFAOYSA-N
XLogP-0.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.43
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-(methylamino)ethyl]sulfonylacetate?
The IUPAC name of methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate (CID 64675961) is methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate is CNC(CS(=O)(=O)CC(=O)OC)C1CC1.
What is the InChIKey of methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate?
The InChIKey is HOOFUFPDYKGLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-10-8(7-3-4-7)5-15(12,13)6-9(11)14-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate?
methyl 2-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylacetate has a molecular weight of 235.30 g/mol, XLogP of -0.43, 6 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-(methylamino)ethyl]sulfonylacetate is sourced from PubChem (CID 64675961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).