methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate

C11H21NO4S — CID 64675557

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

About methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate

methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate (PubChem CID 64675557) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate
PubChem CID64675557
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate
SMILESCCNC(CS(=O)(=O)CCC(=O)OC)C1CC1
InChIInChI=1S/C11H21NO4S/c1-3-12-10(9-4-5-9)8-17(14,15)7-6-11(13)16-2/h9-10,12H,3-8H2,1-2H3
InChIKeyJYYPRNIIWNOIDX-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 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate?
The IUPAC name of methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate (CID 64675557) is methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate.
What is the SMILES notation for methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate?
The canonical SMILES for methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate is CCNC(CS(=O)(=O)CCC(=O)OC)C1CC1.
What is the InChIKey of methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate?
The InChIKey is JYYPRNIIWNOIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-12-10(9-4-5-9)8-17(14,15)7-6-11(13)16-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate?
methyl 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate 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 3-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylpropanoate is sourced from PubChem (CID 64675557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).