N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide

C9H20N2OS — CID 63965989

IUPACN,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide
SMILESCSCCNCCCC(=O)N(C)C
InChIInChI=1S/C9H20N2OS/c1-11(2)9(12)5-4-6-10-7-8-13-3/h10H,4-8H2,1-3H3
InChIKeyNCVJAOQRNGAGFX-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.81
Rot. Bonds7

About N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide

N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide (PubChem CID 63965989) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide
PubChem CID63965989
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide
SMILESCSCCNCCCC(=O)N(C)C
InChIInChI=1S/C9H20N2OS/c1-11(2)9(12)5-4-6-10-7-8-13-3/h10H,4-8H2,1-3H3
InChIKeyNCVJAOQRNGAGFX-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
4-(ethoxyamino)-N,N-dimethylbutanamide
CID 64974940
N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide
CID 111344577
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
CID 62843976
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
4-(2-methylsulfanylethylamino)butan-1-ol
CID 63964871
N-methyl-3-(2-methylsulfanylethylamino)propanamide
CID 63967095
N,N-dimethyl-3-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]propanamide
CID 111627740
4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide
CID 106133750
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide?
The IUPAC name of N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide (CID 63965989) is N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide?
The canonical SMILES for N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide is CSCCNCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide?
The InChIKey is NCVJAOQRNGAGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-11(2)9(12)5-4-6-10-7-8-13-3/h10H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide?
N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide has a molecular weight of 204.34 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide is sourced from PubChem (CID 63965989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).