1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone

C12H20N2O4S — CID 14367449

IUPAC1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
SMILESO=C(CSCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O4S/c15-11(13-1-5-17-6-2-13)9-19-10-12(16)14-3-7-18-8-4-14/h1-10H2
InChIKeyIYXMIKLWNCGDHC-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.56
Rot. Bonds4

About 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone

1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone (PubChem CID 14367449) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
PubChem CID14367449
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
SMILESO=C(CSCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C12H20N2O4S/c15-11(13-1-5-17-6-2-13)9-19-10-12(16)14-3-7-18-8-4-14/h1-10H2
InChIKeyIYXMIKLWNCGDHC-UHFFFAOYSA-N
XLogP-0.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone (CID 14367449) is 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone is O=C(CSCC(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone?
The InChIKey is IYXMIKLWNCGDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c15-11(13-1-5-17-6-2-13)9-19-10-12(16)14-3-7-18-8-4-14/h1-10H2.
What are the key properties of 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone?
1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone has a molecular weight of 288.37 g/mol, XLogP of -0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone is sourced from PubChem (CID 14367449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).