N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide

C14H22N2OS — CID 3039535

IUPACN-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide
SMILESCSCCNC(C)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2OS/c1-10-6-5-7-11(2)13(10)16-14(17)12(3)15-8-9-18-4/h5-7,12,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyLSAGTZQGBJAFSJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.58
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide

N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide (PubChem CID 3039535) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide
PubChem CID3039535
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide
SMILESCSCCNC(C)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2OS/c1-10-6-5-7-11(2)13(10)16-14(17)12(3)15-8-9-18-4/h5-7,12,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyLSAGTZQGBJAFSJ-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2,6-dimethylphenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 51687088
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
2-(2-hydroxyethylamino)-N-(2-methylphenyl)propanamide
CID 82358477
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide
CID 67892291
N-(2,6-dimethylphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]propanamide
CID 43036311
N-[4-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-3-methylbutanamide
CID 55545093
N-(2,6-dimethylphenyl)-4-methyl-2-(methylamino)pentanamide
CID 110838096

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide (CID 3039535) is N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide is CSCCNC(C)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide?
The InChIKey is LSAGTZQGBJAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-6-5-7-11(2)13(10)16-14(17)12(3)15-8-9-18-4/h5-7,12,15H,8-9H2,1-4H3,(H,16,17).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide?
N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide has a molecular weight of 266.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide is sourced from PubChem (CID 3039535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).