2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride

C13H21ClN2O3S — CID 119432199

IUPAC2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(S(C)(=O)=O)ccc1C.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-10-5-6-11(19(3,17)18)9-12(10)13(16)15-8-4-7-14-2;/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16);1H
InChIKeyODGAHOFSZPISGU-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.16
Rot. Bonds6

About 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride

2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride (PubChem CID 119432199) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
PubChem CID119432199
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC Name2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(S(C)(=O)=O)ccc1C.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-10-5-6-11(19(3,17)18)9-12(10)13(16)15-8-4-7-14-2;/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16);1H
InChIKeyODGAHOFSZPISGU-UHFFFAOYSA-N
XLogP1.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-methyl-5-methylsulfonylbenzoyl)amino]hexanoic acid
CID 119219761
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
2-methyl-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119430057
(2S)-2-hydroxy-4-[(2-methyl-5-methylsulfonylbenzoyl)amino]butanoic acid
CID 107834458
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 103800664
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
2-[[(2-methyl-5-methylsulfonylbenzoyl)amino]methyl]butanoic acid
CID 65217875

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride (CID 119432199) is 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride is CNCCCNC(=O)c1cc(S(C)(=O)=O)ccc1C.Cl.
What is the InChIKey of 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride?
The InChIKey is ODGAHOFSZPISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-10-5-6-11(19(3,17)18)9-12(10)13(16)15-8-4-7-14-2;/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride?
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119432199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).