N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride

C12H19ClN2OS — CID 120831488

IUPACN-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccccc1SC.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(13-2)8-14-12(15)10-6-4-5-7-11(10)16-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyHLLVELRYXDYMGT-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride

N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride (PubChem CID 120831488) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
PubChem CID120831488
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC NameN-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccccc1SC.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9(13-2)8-14-12(15)10-6-4-5-7-11(10)16-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyHLLVELRYXDYMGT-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-methylsulfanylbenzamide
CID 79215523
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826
N-[2-(methylamino)propyl]-2-(2-phenylethyl)benzamide;hydrochloride
CID 120831456
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
N-benzyl-2-methylsulfanylbenzamide
CID 966900

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride (CID 120831488) is N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride is CNC(C)CNC(=O)c1ccccc1SC.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride?
The InChIKey is HLLVELRYXDYMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS.ClH/c1-9(13-2)8-14-12(15)10-6-4-5-7-11(10)16-3;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride?
N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-methylsulfanylbenzamide;hydrochloride is sourced from PubChem (CID 120831488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).