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

C10H19NO4S — CID 64674974

IUPACmethyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate
SMILESCCNC(CS(=O)(=O)CC(=O)OC)C1CC1
InChIInChI=1S/C10H19NO4S/c1-3-11-9(8-4-5-8)6-16(13,14)7-10(12)15-2/h8-9,11H,3-7H2,1-2H3
InChIKeyDKBGPPBCWCDWKK-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.04
Rot. Bonds7

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

methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate (PubChem CID 64674974) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate
PubChem CID64674974
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate
SMILESCCNC(CS(=O)(=O)CC(=O)OC)C1CC1
InChIInChI=1S/C10H19NO4S/c1-3-11-9(8-4-5-8)6-16(13,14)7-10(12)15-2/h8-9,11H,3-7H2,1-2H3
InChIKeyDKBGPPBCWCDWKK-UHFFFAOYSA-N
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.04
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-(ethylamino)ethyl]sulfonylacetate?
The IUPAC name of methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate (CID 64674974) is methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate is CCNC(CS(=O)(=O)CC(=O)OC)C1CC1.
What is the InChIKey of methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate?
The InChIKey is DKBGPPBCWCDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-11-9(8-4-5-8)6-16(13,14)7-10(12)15-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate?
methyl 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetate has a molecular weight of 249.33 g/mol, XLogP of -0.04, 7 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-(ethylamino)ethyl]sulfonylacetate is sourced from PubChem (CID 64674974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).