(2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide

C11H21N3O3S — CID 67166346

IUPAC(2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
SMILESCC(C)(SCC(=O)N1CCOCC1)[C@@H](N)C(N)=O
InChIInChI=1S/C11H21N3O3S/c1-11(2,9(12)10(13)16)18-7-8(15)14-3-5-17-6-4-14/h9H,3-7,12H2,1-2H3,(H2,13,16)/t9-/m0/s1
InChIKeyMPLDRHAEETYBHG-VIFPVBQESA-N
MW275.37 g/mol
LogP-0.83
Rot. Bonds5

About (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide

(2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide (PubChem CID 67166346) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
PubChem CID67166346
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name(2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
SMILESCC(C)(SCC(=O)N1CCOCC1)[C@@H](N)C(N)=O
InChIInChI=1S/C11H21N3O3S/c1-11(2,9(12)10(13)16)18-7-8(15)14-3-5-17-6-4-14/h9H,3-7,12H2,1-2H3,(H2,13,16)/t9-/m0/s1
InChIKeyMPLDRHAEETYBHG-VIFPVBQESA-N
XLogP-0.83
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide 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 (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The IUPAC name of (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide (CID 67166346) is (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide is CC(C)(SCC(=O)N1CCOCC1)[C@@H](N)C(N)=O.
What is the InChIKey of (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The InChIKey is MPLDRHAEETYBHG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-11(2,9(12)10(13)16)18-7-8(15)14-3-5-17-6-4-14/h9H,3-7,12H2,1-2H3,(H2,13,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
(2S)-2-amino-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide has a molecular weight of 275.37 g/mol, XLogP of -0.83, 5 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-yl-2-oxoethyl)sulfanylbutanamide is sourced from PubChem (CID 67166346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).