2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine

C11H24N2OS — CID 60811395

IUPAC2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
SMILESCCC1CN(C(CN)CCSC)CCO1
InChIInChI=1S/C11H24N2OS/c1-3-11-9-13(5-6-14-11)10(8-12)4-7-15-2/h10-11H,3-9,12H2,1-2H3
InChIKeyKTDTYKOYBKMOAX-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.18
Rot. Bonds6

About 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine

2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine (PubChem CID 60811395) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
PubChem CID60811395
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
SMILESCCC1CN(C(CN)CCSC)CCO1
InChIInChI=1S/C11H24N2OS/c1-3-11-9-13(5-6-14-11)10(8-12)4-7-15-2/h10-11H,3-9,12H2,1-2H3
InChIKeyKTDTYKOYBKMOAX-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine (CID 60811395) is 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine is CCC1CN(C(CN)CCSC)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The InChIKey is KTDTYKOYBKMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-11-9-13(5-6-14-11)10(8-12)4-7-15-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine has a molecular weight of 232.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 60811395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).