4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide

C12H27N3O2S — CID 55258202

IUPAC4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)13-10-11-6-8-15(9-7-11)18(16,17)14(4)5/h11,13H,6-10H2,1-5H3
InChIKeyAQBIXUBXIBRAFJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.89
Rot. Bonds4

About 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide

4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 55258202) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID55258202
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)13-10-11-6-8-15(9-7-11)18(16,17)14(4)5/h11,13H,6-10H2,1-5H3
InChIKeyAQBIXUBXIBRAFJ-UHFFFAOYSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide
CID 63878404
N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
CID 110736099
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
N-[1-(dimethylsulfamoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110823128
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 56921668
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 99856203
4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161873
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 55258202) is 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CNC(C)(C)C)CC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is AQBIXUBXIBRAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2,3)13-10-11-6-8-15(9-7-11)18(16,17)14(4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide?
4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 55258202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).