4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide

C15H28N2O4S — CID 142905703

IUPAC4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide
SMILESCSCCCC(=O)N[C@@H](COC(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C15H28N2O4S/c1-12(2)21-11-13(16-14(18)5-4-10-22-3)15(19)17-6-8-20-9-7-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyNLZUXZVZWMWBNU-ZDUSSCGKSA-N
MW332.47 g/mol
LogP0.90
Rot. Bonds9

About 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide

4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide (PubChem CID 142905703) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide
PubChem CID142905703
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide
SMILESCSCCCC(=O)N[C@@H](COC(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C15H28N2O4S/c1-12(2)21-11-13(16-14(18)5-4-10-22-3)15(19)17-6-8-20-9-7-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyNLZUXZVZWMWBNU-ZDUSSCGKSA-N
XLogP0.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide 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 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide?
The IUPAC name of 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide (CID 142905703) is 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide.
What is the SMILES notation for 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide?
The canonical SMILES for 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide is CSCCCC(=O)N[C@@H](COC(C)C)C(=O)N1CCOCC1.
What is the InChIKey of 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide?
The InChIKey is NLZUXZVZWMWBNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-12(2)21-11-13(16-14(18)5-4-10-22-3)15(19)17-6-8-20-9-7-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide?
4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide has a molecular weight of 332.47 g/mol, XLogP of 0.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]butanamide is sourced from PubChem (CID 142905703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).