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

C14H31N3O2S — CID 63878404

IUPAC4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C14H31N3O2S/c1-6-16(7-2)20(18,19)17-10-8-13(9-11-17)12-15-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyPGLUHHAULFQCDF-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.67
Rot. Bonds6

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

4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide (PubChem CID 63878404) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide
PubChem CID63878404
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C14H31N3O2S/c1-6-16(7-2)20(18,19)17-10-8-13(9-11-17)12-15-14(3,4)5/h13,15H,6-12H2,1-5H3
InChIKeyPGLUHHAULFQCDF-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 55258202
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
4-(chloromethyl)-N-ethyl-N-(2-methylbutyl)piperidine-1-sulfonamide
CID 79469875
ethyl 1-(diethylsulfamoyl)piperidine-4-carboxylate
CID 43409802
(3S)-N,N-diethyl-3-hydroxypyrrolidine-1-sulfonamide
CID 79031251
N-(2-chloroethyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 63397143
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide
CID 119978105
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide
CID 4136250

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide (CID 63878404) is 4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(CNC(C)(C)C)CC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide?
The InChIKey is PGLUHHAULFQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-6-16(7-2)20(18,19)17-10-8-13(9-11-17)12-15-14(3,4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide?
4-[(tert-butylamino)methyl]-N,N-diethylpiperidine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.67, 6 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-diethylpiperidine-1-sulfonamide is sourced from PubChem (CID 63878404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).