2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C10H20N2O2S — CID 43249425

IUPAC2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CSCCN)CC(C)O1
InChIInChI=1S/C10H20N2O2S/c1-8-5-12(6-9(2)14-8)10(13)7-15-4-3-11/h8-9H,3-7,11H2,1-2H3
InChIKeyLGXMJTPLSUHHTI-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.31
Rot. Bonds4

About 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 43249425) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID43249425
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CSCCN)CC(C)O1
InChIInChI=1S/C10H20N2O2S/c1-8-5-12(6-9(2)14-8)10(13)7-15-4-3-11/h8-9H,3-7,11H2,1-2H3
InChIKeyLGXMJTPLSUHHTI-UHFFFAOYSA-N
XLogP0.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 43249425) is 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CSCCN)CC(C)O1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is LGXMJTPLSUHHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-8-5-12(6-9(2)14-8)10(13)7-15-4-3-11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 232.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43249425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).