propan-2-yl 3-morpholin-4-ylsulfonylpropanoate

C10H19NO5S — CID 112724899

IUPACpropan-2-yl 3-morpholin-4-ylsulfonylpropanoate
SMILESCC(C)OC(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H19NO5S/c1-9(2)16-10(12)3-8-17(13,14)11-4-6-15-7-5-11/h9H,3-8H2,1-2H3
InChIKeyMFSKCGVTNWPNAT-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.01
Rot. Bonds5

About propan-2-yl 3-morpholin-4-ylsulfonylpropanoate

propan-2-yl 3-morpholin-4-ylsulfonylpropanoate (PubChem CID 112724899) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is propan-2-yl 3-morpholin-4-ylsulfonylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-morpholin-4-ylsulfonylpropanoate
PubChem CID112724899
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namepropan-2-yl 3-morpholin-4-ylsulfonylpropanoate
SMILESCC(C)OC(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H19NO5S/c1-9(2)16-10(12)3-8-17(13,14)11-4-6-15-7-5-11/h9H,3-8H2,1-2H3
InChIKeyMFSKCGVTNWPNAT-UHFFFAOYSA-N
XLogP-0.01
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-morpholin-4-ylsulfonylpropanoate?
The IUPAC name of propan-2-yl 3-morpholin-4-ylsulfonylpropanoate (CID 112724899) is propan-2-yl 3-morpholin-4-ylsulfonylpropanoate.
What is the SMILES notation for propan-2-yl 3-morpholin-4-ylsulfonylpropanoate?
The canonical SMILES for propan-2-yl 3-morpholin-4-ylsulfonylpropanoate is CC(C)OC(=O)CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of propan-2-yl 3-morpholin-4-ylsulfonylpropanoate?
The InChIKey is MFSKCGVTNWPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-9(2)16-10(12)3-8-17(13,14)11-4-6-15-7-5-11/h9H,3-8H2,1-2H3.
What are the key properties of propan-2-yl 3-morpholin-4-ylsulfonylpropanoate?
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate has a molecular weight of 265.33 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-morpholin-4-ylsulfonylpropanoate is sourced from PubChem (CID 112724899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).