2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride

C14H23ClN2OS — CID 120830198

IUPAC2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)CSc1ccccc1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11(14(17)16-9-12(2)15-3)10-18-13-7-5-4-6-8-13;/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17);1H
InChIKeyLJTHIWWXHZDZHL-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.56
Rot. Bonds7

About 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride

2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride (PubChem CID 120830198) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
PubChem CID120830198
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)CSc1ccccc1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11(14(17)16-9-12(2)15-3)10-18-13-7-5-4-6-8-13;/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17);1H
InChIKeyLJTHIWWXHZDZHL-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120831508
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
N-(2-amino-2-phenylethyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 119527961
methyl 4-[(2-methyl-3-phenylsulfanylpropanoyl)amino]benzoate
CID 86933350
N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933832
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933520
tert-butyl N-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]carbamate
CID 86935295
N-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86935244
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933667
N-(4-hydroxycyclohexyl)-2-methyl-3-phenylsulfanylpropanamide
CID 111113203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride?
The IUPAC name of 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride (CID 120830198) is 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride is CNC(C)CNC(=O)C(C)CSc1ccccc1.Cl.
What is the InChIKey of 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride?
The InChIKey is LJTHIWWXHZDZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-11(14(17)16-9-12(2)15-3)10-18-13-7-5-4-6-8-13;/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride?
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 120830198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).