2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide

C14H22N2OS — CID 114234766

IUPAC2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide
SMILESCCNCc1cc(C)ccc1SCC(=O)N(C)C
InChIInChI=1S/C14H22N2OS/c1-5-15-9-12-8-11(2)6-7-13(12)18-10-14(17)16(3)4/h6-8,15H,5,9-10H2,1-4H3
InChIKeyBHDXLHINCBEJFD-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.28
Rot. Bonds6

About 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide

2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide (PubChem CID 114234766) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide
PubChem CID114234766
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide
SMILESCCNCc1cc(C)ccc1SCC(=O)N(C)C
InChIInChI=1S/C14H22N2OS/c1-5-15-9-12-8-11(2)6-7-13(12)18-10-14(17)16(3)4/h6-8,15H,5,9-10H2,1-4H3
InChIKeyBHDXLHINCBEJFD-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanylacetate
CID 114055409
N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 82553373
2-[3-chloro-4-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylacetamide
CID 114234761
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide
CID 114231448
N-[[2-[2-(dimethylamino)ethylsulfanyl]-5-methylphenyl]methyl]propan-1-amine
CID 114055442
2-[2-(ethylaminomethyl)-4-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63323513
N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 114055413
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440366
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide
CID 43016105
N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 114055422
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
CID 104923539

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide (CID 114234766) is 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide is CCNCc1cc(C)ccc1SCC(=O)N(C)C.
What is the InChIKey of 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is BHDXLHINCBEJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-15-9-12-8-11(2)6-7-13(12)18-10-14(17)16(3)4/h6-8,15H,5,9-10H2,1-4H3.
What are the key properties of 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide?
2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 266.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-4-methylphenyl]sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 114234766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).