4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide

C15H24N2OS — CID 95904145

IUPAC4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
SMILESCCSC[C@H](C)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C15H24N2OS/c1-5-19-11-12(2)17(4)10-13-6-8-14(9-7-13)15(18)16-3/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyDBAPYISVRJWVMX-LBPRGKRZSA-N
MW280.44 g/mol
LogP2.62
Rot. Bonds7

About 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide

4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 95904145) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
PubChem CID95904145
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
SMILESCCSC[C@H](C)N(C)Cc1ccc(C(=O)NC)cc1
InChIInChI=1S/C15H24N2OS/c1-5-19-11-12(2)17(4)10-13-6-8-14(9-7-13)15(18)16-3/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeyDBAPYISVRJWVMX-LBPRGKRZSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide 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

4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671
N-methyl-4-[[methyl-[(2R,3S)-3-methylsulfonylbutan-2-yl]amino]methyl]benzamide
CID 95625981
4-[[butan-2-yl(methyl)amino]methyl]benzohydrazide
CID 63573814
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227491
N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
CID 97159915
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 103640064
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide (CID 95904145) is 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide is CCSC[C@H](C)N(C)Cc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is DBAPYISVRJWVMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-19-11-12(2)17(4)10-13-6-8-14(9-7-13)15(18)16-3/h6-9,12H,5,10-11H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide?
4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 280.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 95904145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).