N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide

C16H25N3O3S — CID 95219246

IUPACN-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
SMILESCNS(=O)(=O)c1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1
InChIInChI=1S/C16H25N3O3S/c1-13(20)18-10-15-4-3-9-19(12-15)11-14-5-7-16(8-6-14)23(21,22)17-2/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyVAFKSCKWUFQZDD-OAHLLOKOSA-N
MW339.46 g/mol
LogP0.94
Rot. Bonds6

About N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide

N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 95219246) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
PubChem CID95219246
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
SMILESCNS(=O)(=O)c1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1
InChIInChI=1S/C16H25N3O3S/c1-13(20)18-10-15-4-3-9-19(12-15)11-14-5-7-16(8-6-14)23(21,22)17-2/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyVAFKSCKWUFQZDD-OAHLLOKOSA-N
XLogP0.94
TPSA78.51 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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
tert-butyl 4-[[(3S)-3-(acetamidomethyl)piperidin-1-yl]methyl]benzoate
CID 99702492
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
CID 56876296
4-[[3-(acetamidomethyl)piperidin-1-yl]methyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 50979754
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
4-[[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide
CID 95525245
4-[[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]methyl]-N-methylbenzenesulfonamide
CID 95525246
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119398091
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62513794
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide (CID 95219246) is N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide is CNS(=O)(=O)c1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1.
What is the InChIKey of N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is VAFKSCKWUFQZDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13(20)18-10-15-4-3-9-19(12-15)11-14-5-7-16(8-6-14)23(21,22)17-2/h5-8,15,17H,3-4,9-12H2,1-2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide?
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95219246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).