3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide

C14H22N2OS — CID 74242906

IUPAC3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C14H22N2OS/c1-15(2)11-12-6-5-7-13(10-12)14(17)16(3)8-9-18-4/h5-7,10H,8-9,11H2,1-4H3
InChIKeyJVMURLLLVNIWLU-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.18
Rot. Bonds6

About 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide

3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 74242906) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID74242906
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C14H22N2OS/c1-15(2)11-12-6-5-7-13(10-12)14(17)16(3)8-9-18-4/h5-7,10H,8-9,11H2,1-4H3
InChIKeyJVMURLLLVNIWLU-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
CID 74246309
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112663392
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
(E)-3-[2-fluoro-4-[methyl(2-methylsulfanylethyl)carbamoyl]phenyl]prop-2-enoic acid
CID 115987014

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 74242906) is 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1cccc(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is JVMURLLLVNIWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-15(2)11-12-6-5-7-13(10-12)14(17)16(3)8-9-18-4/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide?
3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 266.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 74242906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).