3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one

C10H20N2O2S — CID 69264372

IUPAC3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one
SMILESCCC(N)CC(=O)N1CCOCC1SC
InChIInChI=1S/C10H20N2O2S/c1-3-8(11)6-9(13)12-4-5-14-7-10(12)15-2/h8,10H,3-7,11H2,1-2H3
InChIKeyYSGGDRGKVYREIW-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one

3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one (PubChem CID 69264372) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one
PubChem CID69264372
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one
SMILESCCC(N)CC(=O)N1CCOCC1SC
InChIInChI=1S/C10H20N2O2S/c1-3-8(11)6-9(13)12-4-5-14-7-10(12)15-2/h8,10H,3-7,11H2,1-2H3
InChIKeyYSGGDRGKVYREIW-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one 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 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one (CID 69264372) is 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one is CCC(N)CC(=O)N1CCOCC1SC.
What is the InChIKey of 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one?
The InChIKey is YSGGDRGKVYREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-8(11)6-9(13)12-4-5-14-7-10(12)15-2/h8,10H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one?
3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one has a molecular weight of 232.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylsulfanylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 69264372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).