2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone

C10H20N2O2S — CID 78815658

IUPAC2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone
SMILESCSCCN(C)CC(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-11(5-8-15-2)9-10(13)12-3-6-14-7-4-12/h3-9H2,1-2H3
InChIKeyISIPSSQRDOEHRB-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.14
Rot. Bonds5

About 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone

2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone (PubChem CID 78815658) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone
PubChem CID78815658
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone
SMILESCSCCN(C)CC(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-11(5-8-15-2)9-10(13)12-3-6-14-7-4-12/h3-9H2,1-2H3
InChIKeyISIPSSQRDOEHRB-UHFFFAOYSA-N
XLogP0.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone (CID 78815658) is 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone is CSCCN(C)CC(=O)N1CCOCC1.
What is the InChIKey of 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone?
The InChIKey is ISIPSSQRDOEHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11(5-8-15-2)9-10(13)12-3-6-14-7-4-12/h3-9H2,1-2H3.
What are the key properties of 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone?
2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone has a molecular weight of 232.35 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 78815658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).