4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

C17H28N2O2S — CID 16887423

IUPAC4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-17(2,3)15-5-7-16(8-6-15)22(20,21)18-13-14-9-11-19(4)12-10-14/h5-8,14,18H,9-13H2,1-4H3
InChIKeyRJYQKKUCRLGYHW-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.60
Rot. Bonds4

About 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887423) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887423
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2O2S/c1-17(2,3)15-5-7-16(8-6-15)22(20,21)18-13-14-9-11-19(4)12-10-14/h5-8,14,18H,9-13H2,1-4H3
InChIKeyRJYQKKUCRLGYHW-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
4-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 131931555
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
4-tert-butyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 71786382
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
2-methyl-N-[4-[(1-methylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887477
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439
N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 6733441
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887423) is 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is CN1CCC(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is RJYQKKUCRLGYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-17(2,3)15-5-7-16(8-6-15)22(20,21)18-13-14-9-11-19(4)12-10-14/h5-8,14,18H,9-13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).