3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one

C13H24N2O3S — CID 173323727

IUPAC3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one
SMILESCSC(C)C(C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H24N2O3S/c1-11(19-2)12(14-3-7-17-8-4-14)13(16)15-5-9-18-10-6-15/h11-12H,3-10H2,1-2H3
InChIKeyUSXBQBGMGRVQSJ-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.30
Rot. Bonds4

About 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one

3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one (PubChem CID 173323727) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one
PubChem CID173323727
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one
SMILESCSC(C)C(C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C13H24N2O3S/c1-11(19-2)12(14-3-7-17-8-4-14)13(16)15-5-9-18-10-6-15/h11-12H,3-10H2,1-2H3
InChIKeyUSXBQBGMGRVQSJ-UHFFFAOYSA-N
XLogP0.30
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one?
The IUPAC name of 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one (CID 173323727) is 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one?
The canonical SMILES for 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one is CSC(C)C(C(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one?
The InChIKey is USXBQBGMGRVQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-11(19-2)12(14-3-7-17-8-4-14)13(16)15-5-9-18-10-6-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one?
3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one has a molecular weight of 288.41 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1,2-dimorpholin-4-ylbutan-1-one is sourced from PubChem (CID 173323727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).