2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine

C11H24N2OS — CID 60811394

IUPAC2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
SMILESCSCCC(CN)N1CC(C)OCC1C
InChIInChI=1S/C11H24N2OS/c1-9-8-14-10(2)7-13(9)11(6-12)4-5-15-3/h9-11H,4-8,12H2,1-3H3
InChIKeyCOTLARZSRLCHQI-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.18
Rot. Bonds5

About 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine

2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine (PubChem CID 60811394) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
PubChem CID60811394
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
SMILESCSCCC(CN)N1CC(C)OCC1C
InChIInChI=1S/C11H24N2OS/c1-9-8-14-10(2)7-13(9)11(6-12)4-5-15-3/h9-11H,4-8,12H2,1-3H3
InChIKeyCOTLARZSRLCHQI-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine (CID 60811394) is 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine is CSCCC(CN)N1CC(C)OCC1C.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The InChIKey is COTLARZSRLCHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-9-8-14-10(2)7-13(9)11(6-12)4-5-15-3/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine has a molecular weight of 232.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 60811394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).