(2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide

C11H23N3O2S — CID 67164235

IUPAC(2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide
SMILESCC(C)(SCCN1CCOCC1)[C@@H](N)C(N)=O
InChIInChI=1S/C11H23N3O2S/c1-11(2,9(12)10(13)15)17-8-5-14-3-6-16-7-4-14/h9H,3-8,12H2,1-2H3,(H2,13,15)/t9-/m0/s1
InChIKeyXQGDMHNLUMOFJK-VIFPVBQESA-N
MW261.39 g/mol
LogP-0.36
Rot. Bonds6

About (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide

(2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide (PubChem CID 67164235) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide
PubChem CID67164235
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name(2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide
SMILESCC(C)(SCCN1CCOCC1)[C@@H](N)C(N)=O
InChIInChI=1S/C11H23N3O2S/c1-11(2,9(12)10(13)15)17-8-5-14-3-6-16-7-4-14/h9H,3-8,12H2,1-2H3,(H2,13,15)/t9-/m0/s1
InChIKeyXQGDMHNLUMOFJK-VIFPVBQESA-N
XLogP-0.36
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide (CID 67164235) is (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide is CC(C)(SCCN1CCOCC1)[C@@H](N)C(N)=O.
What is the InChIKey of (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide?
The InChIKey is XQGDMHNLUMOFJK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-11(2,9(12)10(13)15)17-8-5-14-3-6-16-7-4-14/h9H,3-8,12H2,1-2H3,(H2,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide?
(2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide has a molecular weight of 261.39 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-3-(2-morpholin-4-ylethylsulfanyl)butanamide is sourced from PubChem (CID 67164235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).