N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide

C13H25N3O3S — CID 131893952

IUPACN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)C2CCC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-15(2)20(18,19)16-8-6-11(7-9-16)10-14-13(17)12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyABIZWJJWDGJORQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.42
Rot. Bonds5

About N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide

N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 131893952) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
PubChem CID131893952
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)C2CCC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-15(2)20(18,19)16-8-6-11(7-9-16)10-14-13(17)12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyABIZWJJWDGJORQ-UHFFFAOYSA-N
XLogP0.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 70702982
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
(3R)-1-(dimethylsulfamoyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 28567035
4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 55258202
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122161827
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide
CID 127363128
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 98112728
N-[[1-(1,1-dioxothiolan-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131897834

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide (CID 131893952) is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide is CN(C)S(=O)(=O)N1CCC(CNC(=O)C2CCC2)CC1.
What is the InChIKey of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is ABIZWJJWDGJORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-15(2)20(18,19)16-8-6-11(7-9-16)10-14-13(17)12-4-3-5-12/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide?
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 303.43 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 131893952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).