4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide

C10H22N2OS — CID 115738998

IUPAC4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
SMILESCNCCCC(=O)NCCC(C)SC
InChIInChI=1S/C10H22N2OS/c1-9(14-3)6-8-12-10(13)5-4-7-11-2/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyPTGFVXJVHQTDOS-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.24
Rot. Bonds8

About 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide

4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide (PubChem CID 115738998) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
PubChem CID115738998
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
SMILESCNCCCC(=O)NCCC(C)SC
InChIInChI=1S/C10H22N2OS/c1-9(14-3)6-8-12-10(13)5-4-7-11-2/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyPTGFVXJVHQTDOS-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.24
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

5-bromo-N-(3-methylsulfanylbutyl)pentanamide
CID 107910619
N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide
CID 134403497
2-amino-N-(3-methylsulfanylbutyl)acetamide
CID 115734039
4-(methylamino)-N-[2-(2-methylpropanoylamino)ethyl]butanamide;hydrochloride
CID 119687959
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498
2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide
CID 115739037
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide (CID 115738998) is 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide is CNCCCC(=O)NCCC(C)SC.
What is the InChIKey of 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide?
The InChIKey is PTGFVXJVHQTDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9(14-3)6-8-12-10(13)5-4-7-11-2/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide?
4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide is sourced from PubChem (CID 115738998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).