2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol

C11H21NO4S — CID 117237676

IUPAC2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol
SMILESO=S1(=O)CCC(C(CO)CN2CCOCC2)C1
InChIInChI=1S/C11H21NO4S/c13-8-11(7-12-2-4-16-5-3-12)10-1-6-17(14,15)9-10/h10-11,13H,1-9H2
InChIKeyDJDUOPCJSBVSTK-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.64
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol

2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol (PubChem CID 117237676) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol
PubChem CID117237676
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol
SMILESO=S1(=O)CCC(C(CO)CN2CCOCC2)C1
InChIInChI=1S/C11H21NO4S/c13-8-11(7-12-2-4-16-5-3-12)10-1-6-17(14,15)9-10/h10-11,13H,1-9H2
InChIKeyDJDUOPCJSBVSTK-UHFFFAOYSA-N
XLogP-0.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol (CID 117237676) is 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol is O=S1(=O)CCC(C(CO)CN2CCOCC2)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol?
The InChIKey is DJDUOPCJSBVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c13-8-11(7-12-2-4-16-5-3-12)10-1-6-17(14,15)9-10/h10-11,13H,1-9H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol?
2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol has a molecular weight of 263.36 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-3-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 117237676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).