ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate

C10H19NO3S — CID 59634339

IUPACethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCCC1
InChIInChI=1S/C10H19NO3S/c1-4-14-9(12)10(2,3)15(13)11-7-5-6-8-11/h4-8H2,1-3H3
InChIKeyTXIRSRHVGDEJOC-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.09
Rot. Bonds4

About ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate

ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate (PubChem CID 59634339) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate
PubChem CID59634339
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Nameethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCCC1
InChIInChI=1S/C10H19NO3S/c1-4-14-9(12)10(2,3)15(13)11-7-5-6-8-11/h4-8H2,1-3H3
InChIKeyTXIRSRHVGDEJOC-UHFFFAOYSA-N
XLogP1.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate?
The IUPAC name of ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate (CID 59634339) is ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate is CCOC(=O)C(C)(C)S(=O)N1CCCC1.
What is the InChIKey of ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate?
The InChIKey is TXIRSRHVGDEJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-4-14-9(12)10(2,3)15(13)11-7-5-6-8-11/h4-8H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate?
ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate has a molecular weight of 233.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-pyrrolidin-1-ylsulfinylpropanoate is sourced from PubChem (CID 59634339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).