ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate

C10H19NO4S — CID 59634197

IUPACethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H19NO4S/c1-4-15-9(12)10(2,3)16(13,14)11-7-5-6-8-11/h4-8H2,1-3H3
InChIKeyPKYQAVZKFSKDIA-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.75
Rot. Bonds4

About ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate

ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate (PubChem CID 59634197) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate
PubChem CID59634197
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Nameethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H19NO4S/c1-4-15-9(12)10(2,3)16(13,14)11-7-5-6-8-11/h4-8H2,1-3H3
InChIKeyPKYQAVZKFSKDIA-UHFFFAOYSA-N
XLogP0.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate?
The IUPAC name of ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate (CID 59634197) is ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)N1CCCC1.
What is the InChIKey of ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate?
The InChIKey is PKYQAVZKFSKDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-4-15-9(12)10(2,3)16(13,14)11-7-5-6-8-11/h4-8H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate?
ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate has a molecular weight of 249.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-pyrrolidin-1-ylsulfonylpropanoate is sourced from PubChem (CID 59634197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).