N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide

C14H22N2OS — CID 97159915

IUPACN-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
SMILESCSC[C@H](C)N(C)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2OS/c1-11(10-18-4)16(3)9-13-5-7-14(8-6-13)15-12(2)17/h5-8,11H,9-10H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyLVTZPYHXQXDJHP-NSHDSACASA-N
MW266.41 g/mol
LogP2.83
Rot. Bonds6

About N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide

N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide (PubChem CID 97159915) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
PubChem CID97159915
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
SMILESCSC[C@H](C)N(C)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H22N2OS/c1-11(10-18-4)16(3)9-13-5-7-14(8-6-13)15-12(2)17/h5-8,11H,9-10H2,1-4H3,(H,15,17)/t11-/m0/s1
InChIKeyLVTZPYHXQXDJHP-NSHDSACASA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671
2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid
CID 65068255
[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 112663861
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 95904145
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
4-[[methyl-[(2R)-1-methylsulfanylpropan-2-yl]amino]methyl]-2-nitrophenol
CID 97159922
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052

Frequently Asked Questions

What is the IUPAC name of N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide (CID 97159915) is N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide is CSC[C@H](C)N(C)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide?
The InChIKey is LVTZPYHXQXDJHP-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(10-18-4)16(3)9-13-5-7-14(8-6-13)15-12(2)17/h5-8,11H,9-10H2,1-4H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide?
N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 97159915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).