methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate

C9H17NO5S — CID 66939865

IUPACmethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate
SMILESCOC(=O)C(C)(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H17NO5S/c1-9(2,8(11)14-3)16(12,13)10-4-6-15-7-5-10/h4-7H2,1-3H3
InChIKeyUCEOJZCBFWQWPK-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.40
Rot. Bonds3

About methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate

methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate (PubChem CID 66939865) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate
PubChem CID66939865
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Namemethyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate
SMILESCOC(=O)C(C)(C)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H17NO5S/c1-9(2,8(11)14-3)16(12,13)10-4-6-15-7-5-10/h4-7H2,1-3H3
InChIKeyUCEOJZCBFWQWPK-UHFFFAOYSA-N
XLogP-0.40
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate?
The IUPAC name of methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate (CID 66939865) is methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate.
What is the SMILES notation for methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate?
The canonical SMILES for methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate is COC(=O)C(C)(C)S(=O)(=O)N1CCOCC1.
What is the InChIKey of methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate?
The InChIKey is UCEOJZCBFWQWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-9(2,8(11)14-3)16(12,13)10-4-6-15-7-5-10/h4-7H2,1-3H3.
What are the key properties of methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate?
methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate has a molecular weight of 251.30 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-morpholin-4-ylsulfonylpropanoate is sourced from PubChem (CID 66939865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).