2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one

C11H20N2O4S — CID 43083358

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC1CCS(=O)(=O)C1)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O4S/c1-9(11(14)13-3-5-17-6-4-13)12-10-2-7-18(15,16)8-10/h9-10,12H,2-8H2,1H3
InChIKeyOKUDBYJJPQNMKF-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.99
Rot. Bonds3

About 2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one

2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 43083358) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID43083358
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC1CCS(=O)(=O)C1)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O4S/c1-9(11(14)13-3-5-17-6-4-13)12-10-2-7-18(15,16)8-10/h9-10,12H,2-8H2,1H3
InChIKeyOKUDBYJJPQNMKF-UHFFFAOYSA-N
XLogP-0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.99
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)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 43083358) is 2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one is CC(NC1CCS(=O)(=O)C1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is OKUDBYJJPQNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9(11(14)13-3-5-17-6-4-13)12-10-2-7-18(15,16)8-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one?
2-[(1,1-dioxothiolan-3-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 276.36 g/mol, XLogP of -0.99, 3 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)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43083358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).