1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one

C14H24N2O4S — CID 2179601

IUPAC1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one
SMILESO=C(CCSCCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H24N2O4S/c17-13(15-3-7-19-8-4-15)1-11-21-12-2-14(18)16-5-9-20-10-6-16/h1-12H2
InChIKeyGUDAEMYNNMKIES-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.22
Rot. Bonds6

About 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one

1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one (PubChem CID 2179601) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one
PubChem CID2179601
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one
SMILESO=C(CCSCCC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C14H24N2O4S/c17-13(15-3-7-19-8-4-15)1-11-21-12-2-14(18)16-5-9-20-10-6-16/h1-12H2
InChIKeyGUDAEMYNNMKIES-UHFFFAOYSA-N
XLogP0.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one (CID 2179601) is 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one is O=C(CCSCCC(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one?
The InChIKey is GUDAEMYNNMKIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c17-13(15-3-7-19-8-4-15)1-11-21-12-2-14(18)16-5-9-20-10-6-16/h1-12H2.
What are the key properties of 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one?
1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one has a molecular weight of 316.42 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(3-morpholin-4-yl-3-oxopropyl)sulfanylpropan-1-one is sourced from PubChem (CID 2179601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).