4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide

C10H22N2OS — CID 115739817

IUPAC4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
SMILESCNCCCC(=O)NCC(C)(C)SC
InChIInChI=1S/C10H22N2OS/c1-10(2,14-4)8-12-9(13)6-5-7-11-3/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyRYBOVRTYJDHTDG-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.24
Rot. Bonds7

About 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide

4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide (PubChem CID 115739817) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
PubChem CID115739817
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
SMILESCNCCCC(=O)NCC(C)(C)SC
InChIInChI=1S/C10H22N2OS/c1-10(2,14-4)8-12-9(13)6-5-7-11-3/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyRYBOVRTYJDHTDG-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119822011
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115734389
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
N-[3-(methylamino)propyl]-4-methylsulfanylbutanamide
CID 119434267
4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
CID 115738998
4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide
CID 145408421
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
N-(cyanomethyl)-4-(methylamino)butanamide
CID 61254467

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide (CID 115739817) is 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide is CNCCCC(=O)NCC(C)(C)SC.
What is the InChIKey of 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide?
The InChIKey is RYBOVRTYJDHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-10(2,14-4)8-12-9(13)6-5-7-11-3/h11H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide?
4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide is sourced from PubChem (CID 115739817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).