N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide

C11H24N2OS — CID 119606876

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

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

N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide (PubChem CID 119606876) 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)-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide
PubChem CID119606876
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C11H24N2OS/c1-5-6-15-7-10(14)13-11(4,8-12)9(2)3/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyXBBNJHFOTSJMHL-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'}

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-propylsulfanylacetamide
CID 119569993
N-(1-amino-2,3-dimethylbutan-2-yl)decanamide
CID 115310393
N-(1-amino-2,3-dimethylbutan-2-yl)octanamide
CID 81486540
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylsulfanylbutanamide
CID 119609041
N-(1-amino-2-methylpropan-2-yl)-2-(3-methylbutylsulfanyl)acetamide;hydrochloride
CID 119524067
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 119605978
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methylbutylsulfanyl)acetamide
CID 119571110
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethyl-4-methylpentanamide;hydrochloride
CID 119605747
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
CID 119606115
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
CID 119605723
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021631

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide (CID 119606876) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide is CCCSCC(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide?
The InChIKey is XBBNJHFOTSJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-6-15-7-10(14)13-11(4,8-12)9(2)3/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-propylsulfanylacetamide 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)-2-propylsulfanylacetamide is sourced from PubChem (CID 119606876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).