(3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one

C10H20N2O2S — CID 68664939

IUPAC(3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
SMILESCSCC[C@H](N)CC(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-15-7-2-9(11)8-10(13)12-3-5-14-6-4-12/h9H,2-8,11H2,1H3/t9-/m0/s1
InChIKeyJWKVNDJNWICIDU-VIFPVBQESA-N
MW232.35 g/mol
LogP0.32
Rot. Bonds5

About (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one

(3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one (PubChem CID 68664939) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
PubChem CID68664939
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name(3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one
SMILESCSCC[C@H](N)CC(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-15-7-2-9(11)8-10(13)12-3-5-14-6-4-12/h9H,2-8,11H2,1H3/t9-/m0/s1
InChIKeyJWKVNDJNWICIDU-VIFPVBQESA-N
XLogP0.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one (CID 68664939) is (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one is CSCC[C@H](N)CC(=O)N1CCOCC1.
What is the InChIKey of (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is JWKVNDJNWICIDU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15-7-2-9(11)8-10(13)12-3-5-14-6-4-12/h9H,2-8,11H2,1H3/t9-/m0/s1.
What are the key properties of (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one?
(3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 232.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-methylsulfanyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 68664939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).