4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide

C16H25N3O3S — CID 124839638

IUPAC4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide
SMILESC[C@@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H25N3O3S/c1-12-5-3-4-10-19(12)13(2)11-18-23(21,22)15-8-6-14(7-9-15)16(17)20/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H2,17,20)/t12-,13-/m1/s1
InChIKeyRKACINUVFZVWKE-CHWSQXEVSA-N
MW339.46 g/mol
LogP1.33
Rot. Bonds6

About 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide

4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide (PubChem CID 124839638) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide
PubChem CID124839638
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide
SMILESC[C@@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H25N3O3S/c1-12-5-3-4-10-19(12)13(2)11-18-23(21,22)15-8-6-14(7-9-15)16(17)20/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H2,17,20)/t12-,13-/m1/s1
InChIKeyRKACINUVFZVWKE-CHWSQXEVSA-N
XLogP1.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate
CID 39664343
4-[2-[(2R)-2-methylpiperidin-1-yl]ethylsulfamoyl]benzamide
CID 94182162
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide
CID 134006882
5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 42960760
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
CID 103834407
N-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]pyridine-4-carboxamide
CID 98719912
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
4-(cyclopentyloxysulfamoyl)benzamide
CID 83229494

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide?
The IUPAC name of 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide (CID 124839638) is 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide is C[C@@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide?
The InChIKey is RKACINUVFZVWKE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-5-3-4-10-19(12)13(2)11-18-23(21,22)15-8-6-14(7-9-15)16(17)20/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H2,17,20)/t12-,13-/m1/s1.
What are the key properties of 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide?
4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzamide is sourced from PubChem (CID 124839638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).