N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide

C11H24N2OS — CID 169313143

IUPACN-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)N(C)CCCN(C)C
InChIInChI=1S/C11H24N2OS/c1-12(2)8-6-9-13(3)11(14)7-5-10-15-4/h5-10H2,1-4H3
InChIKeyMXKKNXVHUUJSFW-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.54
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide

N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide (PubChem CID 169313143) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
PubChem CID169313143
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
SMILESCSCCCC(=O)N(C)CCCN(C)C
InChIInChI=1S/C11H24N2OS/c1-12(2)8-6-9-13(3)11(14)7-5-10-15-4/h5-10H2,1-4H3
InChIKeyMXKKNXVHUUJSFW-UHFFFAOYSA-N
XLogP1.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
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-(dimethylamino)propyl]-4-hydroxy-N-methylbutanamide
CID 79191572
7-(dimethylamino)-N-[3-[ethyl(methyl)amino]propyl]-N-methylheptanamide
CID 168959154
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
CID 20664951
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 63693500
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299719
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140
4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 112666850
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide (CID 169313143) is N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide is CSCCCC(=O)N(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is MXKKNXVHUUJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-12(2)8-6-9-13(3)11(14)7-5-10-15-4/h5-10H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide?
N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 169313143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).