N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide

C11H24N2OS — CID 119609041

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C11H24N2OS/c1-9(2)11(3,8-12)13-10(14)6-5-7-15-4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyIJJIBLAYSUOFQO-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.62
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide (PubChem CID 119609041) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
PubChem CID119609041
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C11H24N2OS/c1-9(2)11(3,8-12)13-10(14)6-5-7-15-4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyIJJIBLAYSUOFQO-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide 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

N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119600356
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
2,3-dimethyl-2-(4-methylsulfanylbutanoylamino)butanoic acid
CID 115910237
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide
CID 119606876
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
CID 119606115
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119609120
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-methoxyphenyl)butanamide;hydrochloride
CID 119605619
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(4-bromophenoxy)pentanamide
CID 119605778
4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
CID 119605954
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119608463

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide (CID 119609041) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide is CSCCCC(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is IJJIBLAYSUOFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-9(2)11(3,8-12)13-10(14)6-5-7-15-4/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 119609041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).