2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine

C10H22N2OS — CID 60811393

IUPAC2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
SMILESCSCCC(CN)N1CCOCC1C
InChIInChI=1S/C10H22N2OS/c1-9-8-13-5-4-12(9)10(7-11)3-6-14-2/h9-10H,3-8,11H2,1-2H3
InChIKeyVEKJUPLTNMOXKD-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.79
Rot. Bonds5

About 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine

2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine (PubChem CID 60811393) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
PubChem CID60811393
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
SMILESCSCCC(CN)N1CCOCC1C
InChIInChI=1S/C10H22N2OS/c1-9-8-13-5-4-12(9)10(7-11)3-6-14-2/h9-10H,3-8,11H2,1-2H3
InChIKeyVEKJUPLTNMOXKD-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine (CID 60811393) is 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine is CSCCC(CN)N1CCOCC1C.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
The InChIKey is VEKJUPLTNMOXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9-8-13-5-4-12(9)10(7-11)3-6-14-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine?
2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine has a molecular weight of 218.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 60811393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).