N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide

C16H25N3O4S — CID 124756680

IUPACN-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCCNC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-2-9-19-24(22,23)14-6-4-13(5-7-14)15(20)18-12-16(21)8-3-10-17-11-16/h4-7,17,19,21H,2-3,8-12H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyUIMONCDMQYQKHK-MRXNPFEDSA-N
MW355.46 g/mol
LogP0.22
Rot. Bonds7

About N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide

N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide (PubChem CID 124756680) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
PubChem CID124756680
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCCNC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-2-9-19-24(22,23)14-6-4-13(5-7-14)15(20)18-12-16(21)8-3-10-17-11-16/h4-7,17,19,21H,2-3,8-12H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyUIMONCDMQYQKHK-MRXNPFEDSA-N
XLogP0.22
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118771640
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440803
N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 77088762
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120
methyl 2-[4-[(3-hydroxypiperidin-3-yl)methylcarbamoyl]phenyl]benzoate
CID 119067850
3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 122564480
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 126432956

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide (CID 124756680) is N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCCNC2)cc1.
What is the InChIKey of N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide?
The InChIKey is UIMONCDMQYQKHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-2-9-19-24(22,23)14-6-4-13(5-7-14)15(20)18-12-16(21)8-3-10-17-11-16/h4-7,17,19,21H,2-3,8-12H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide?
N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 124756680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).