2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride

C13H21ClN2OS — CID 119769549

IUPAC2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(CSC)cc1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10(8-14-2)13(16)15-12-6-4-11(5-7-12)9-17-3;/h4-7,10,14H,8-9H2,1-3H3,(H,15,16);1H
InChIKeyWLMQDYCRJVVRRB-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.77
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride (PubChem CID 119769549) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride
PubChem CID119769549
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(CSC)cc1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-10(8-14-2)13(16)15-12-6-4-11(5-7-12)9-17-3;/h4-7,10,14H,8-9H2,1-3H3,(H,15,16);1H
InChIKeyWLMQDYCRJVVRRB-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
2-methyl-3-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 119742882
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
CID 119769536
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 75381692
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
2-methyl-3-(methylamino)-N-(3-methylsulfanylphenyl)propanamide;hydrochloride
CID 119671136
1-(1-hydroxypropan-2-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 110929129

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride (CID 119769549) is 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(CSC)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride?
The InChIKey is WLMQDYCRJVVRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-10(8-14-2)13(16)15-12-6-4-11(5-7-12)9-17-3;/h4-7,10,14H,8-9H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[4-(methylsulfanylmethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119769549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).