ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate

C9H19NO3S — CID 59634266

IUPACethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)NC(C)C
InChIInChI=1S/C9H19NO3S/c1-6-13-8(11)9(4,5)14(12)10-7(2)3/h7,10H,6H2,1-5H3
InChIKeyFVZBXEKBOIYGCK-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.99
Rot. Bonds5

About ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate

ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate (PubChem CID 59634266) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate
PubChem CID59634266
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)NC(C)C
InChIInChI=1S/C9H19NO3S/c1-6-13-8(11)9(4,5)14(12)10-7(2)3/h7,10H,6H2,1-5H3
InChIKeyFVZBXEKBOIYGCK-UHFFFAOYSA-N
XLogP0.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate?
The IUPAC name of ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate (CID 59634266) is ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate is CCOC(=O)C(C)(C)S(=O)NC(C)C.
What is the InChIKey of ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate?
The InChIKey is FVZBXEKBOIYGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-6-13-8(11)9(4,5)14(12)10-7(2)3/h7,10H,6H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate?
ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate has a molecular weight of 221.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-propan-2-ylsulfinamoylpropanoate is sourced from PubChem (CID 59634266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).