2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine

C12H26N2OS — CID 116503923

IUPAC2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine
SMILESCCSCCC(CN)N1CC(C)OC(C)C1
InChIInChI=1S/C12H26N2OS/c1-4-16-6-5-12(7-13)14-8-10(2)15-11(3)9-14/h10-12H,4-9,13H2,1-3H3
InChIKeyXXVSFTNEFIDPSL-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.57
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine

2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine (PubChem CID 116503923) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine
PubChem CID116503923
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine
SMILESCCSCCC(CN)N1CC(C)OC(C)C1
InChIInChI=1S/C12H26N2OS/c1-4-16-6-5-12(7-13)14-8-10(2)15-11(3)9-14/h10-12H,4-9,13H2,1-3H3
InChIKeyXXVSFTNEFIDPSL-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine 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 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine (CID 116503923) is 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine is CCSCCC(CN)N1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine?
The InChIKey is XXVSFTNEFIDPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-4-16-6-5-12(7-13)14-8-10(2)15-11(3)9-14/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine?
2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine has a molecular weight of 246.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine is sourced from PubChem (CID 116503923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).