2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide

C11H22N2O4S — CID 103950985

IUPAC2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide
SMILESC=CCCOCCNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-3-4-7-17-8-6-13-11(14)10(12)5-9-18(2,15)16/h3,10H,1,4-9,12H2,2H3,(H,13,14)
InChIKeyQLHNOOUWKRFPIT-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.54
Rot. Bonds10

About 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide

2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide (PubChem CID 103950985) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide
PubChem CID103950985
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide
SMILESC=CCCOCCNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-3-4-7-17-8-6-13-11(14)10(12)5-9-18(2,15)16/h3,10H,1,4-9,12H2,2H3,(H,13,14)
InChIKeyQLHNOOUWKRFPIT-UHFFFAOYSA-N
XLogP-0.54
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide 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

(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
CID 119803206
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide
CID 135228994
2-but-3-enoxyethylurea
CID 103852774
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
CID 106398430
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide
CID 106398332

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide (CID 103950985) is 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide is C=CCCOCCNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide?
The InChIKey is QLHNOOUWKRFPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-4-7-17-8-6-13-11(14)10(12)5-9-18(2,15)16/h3,10H,1,4-9,12H2,2H3,(H,13,14).
What are the key properties of 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide has a molecular weight of 278.37 g/mol, XLogP of -0.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 103950985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).