N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide

C11H16N2OS — CID 43600953

IUPACN-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
SMILESCNCc1ccccc1NC(=O)CSC
InChIInChI=1S/C11H16N2OS/c1-12-7-9-5-3-4-6-10(9)13-11(14)8-15-2/h3-6,12H,7-8H2,1-2H3,(H,13,14)
InChIKeyPCYSHQJYTYWZPL-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide

N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide (PubChem CID 43600953) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
PubChem CID43600953
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
SMILESCNCc1ccccc1NC(=O)CSC
InChIInChI=1S/C11H16N2OS/c1-12-7-9-5-3-4-6-10(9)13-11(14)8-15-2/h3-6,12H,7-8H2,1-2H3,(H,13,14)
InChIKeyPCYSHQJYTYWZPL-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(methylaminomethyl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569724
N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
CID 119437962
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
2-(3-chlorophenyl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 62505669
N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119437899
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
CID 119259979
N-[2-(methylaminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805508
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
2-cyclopent-2-en-1-yl-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43600979
ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate
CID 61408382

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide (CID 43600953) is N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide is CNCc1ccccc1NC(=O)CSC.
What is the InChIKey of N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide?
The InChIKey is PCYSHQJYTYWZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-7-9-5-3-4-6-10(9)13-11(14)8-15-2/h3-6,12H,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide?
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide has a molecular weight of 224.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 43600953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).