4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide

C11H24N2OS — CID 126549367

IUPAC4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide
SMILESCNC(=O)CC(CN(C)C)SCC(C)C
InChIInChI=1S/C11H24N2OS/c1-9(2)8-15-10(7-13(4)5)6-11(14)12-3/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKeyWJCLUFLZLFHIKG-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.44
Rot. Bonds7

About 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide

4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide (PubChem CID 126549367) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide
PubChem CID126549367
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide
SMILESCNC(=O)CC(CN(C)C)SCC(C)C
InChIInChI=1S/C11H24N2OS/c1-9(2)8-15-10(7-13(4)5)6-11(14)12-3/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKeyWJCLUFLZLFHIKG-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide (CID 126549367) is 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide is CNC(=O)CC(CN(C)C)SCC(C)C.
What is the InChIKey of 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide?
The InChIKey is WJCLUFLZLFHIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-9(2)8-15-10(7-13(4)5)6-11(14)12-3/h9-10H,6-8H2,1-5H3,(H,12,14).
What are the key properties of 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide?
4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide has a molecular weight of 232.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-3-(2-methylpropylsulfanyl)butanamide is sourced from PubChem (CID 126549367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).