4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide

C12H26N2O2S — CID 114125401

IUPAC4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
SMILESCOC(CN)CC(=O)NCCCCCCSC
InChIInChI=1S/C12H26N2O2S/c1-16-11(10-13)9-12(15)14-7-5-3-4-6-8-17-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyIOJVLMDEQDXAFW-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.39
Rot. Bonds11

About 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide

4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide (PubChem CID 114125401) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
PubChem CID114125401
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
SMILESCOC(CN)CC(=O)NCCCCCCSC
InChIInChI=1S/C12H26N2O2S/c1-16-11(10-13)9-12(15)14-7-5-3-4-6-8-17-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyIOJVLMDEQDXAFW-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 103155532
3-methoxy-4-(5-methylsulfanylpentylcarbamoylamino)butanoic acid
CID 114128544
N-(5-methylsulfanylpentyl)propanamide
CID 104920124
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
4-amino-3-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 120595508
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
2-[(4-amino-3-methoxybutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 103155376
4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide
CID 103156713
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide (CID 114125401) is 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide is COC(CN)CC(=O)NCCCCCCSC.
What is the InChIKey of 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide?
The InChIKey is IOJVLMDEQDXAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-16-11(10-13)9-12(15)14-7-5-3-4-6-8-17-2/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide?
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide has a molecular weight of 262.42 g/mol, XLogP of 1.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide is sourced from PubChem (CID 114125401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).