N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide

C17H27N3O3S — CID 133231319

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCCC(C)C2)c1
InChIInChI=1S/C17H27N3O3S/c1-14-6-4-10-20(13-14)11-5-9-19-17(21)15-7-3-8-16(12-15)24(22,23)18-2/h3,7-8,12,14,18H,4-6,9-11,13H2,1-2H3,(H,19,21)
InChIKeyOGHGBCQVMZKQML-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.45
Rot. Bonds7

About N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide

N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide (PubChem CID 133231319) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
PubChem CID133231319
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCCC(C)C2)c1
InChIInChI=1S/C17H27N3O3S/c1-14-6-4-10-20(13-14)11-5-9-19-17(21)15-7-3-8-16(12-15)24(22,23)18-2/h3,7-8,12,14,18H,4-6,9-11,13H2,1-2H3,(H,19,21)
InChIKeyOGHGBCQVMZKQML-UHFFFAOYSA-N
XLogP1.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.45
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

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55725093
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 51948398
3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
CID 86990789
3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55705272

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide (CID 133231319) is N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCCCN2CCCC(C)C2)c1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is OGHGBCQVMZKQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-6-4-10-20(13-14)11-5-9-19-17(21)15-7-3-8-16(12-15)24(22,23)18-2/h3,7-8,12,14,18H,4-6,9-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 133231319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).