4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide

C9H20N2O3S — CID 103156713

IUPAC4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide
SMILESCCS(=O)CCNC(=O)CC(CN)OC
InChIInChI=1S/C9H20N2O3S/c1-3-15(13)5-4-11-9(12)6-8(7-10)14-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyWSQWNDJRRRGIKF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.76
Rot. Bonds8

About 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide

4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide (PubChem CID 103156713) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide
PubChem CID103156713
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide
SMILESCCS(=O)CCNC(=O)CC(CN)OC
InChIInChI=1S/C9H20N2O3S/c1-3-15(13)5-4-11-9(12)6-8(7-10)14-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyWSQWNDJRRRGIKF-UHFFFAOYSA-N
XLogP-0.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide 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-N-(2-bromoprop-2-enyl)-3-methoxybutanamide
CID 103156647
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
4-amino-3-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 103155532
4-amino-3-methoxy-N-(6-methylsulfanylhexyl)butanamide
CID 114125401
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672
(2R)-2-amino-N-(2-ethylsulfinylethyl)propanamide
CID 103796520
4-amino-N-but-2-ynyl-3-methoxybutanamide
CID 103156644
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610
4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
CID 120587130
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide (CID 103156713) is 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide is CCS(=O)CCNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide?
The InChIKey is WSQWNDJRRRGIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-15(13)5-4-11-9(12)6-8(7-10)14-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide?
4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide has a molecular weight of 236.34 g/mol, XLogP of -0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylsulfinylethyl)-3-methoxybutanamide is sourced from PubChem (CID 103156713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).