1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide

C21H38N2O3S — CID 2939453

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide
SMILESCC1(C)CC(CCNS(=O)(=O)CC23CCC(CC2=O)C3(C)C)CC(C)(C)N1
InChIInChI=1S/C21H38N2O3S/c1-18(2)12-15(13-19(3,4)23-18)8-10-22-27(25,26)14-21-9-7-16(11-17(21)24)20(21,5)6/h15-16,22-23H,7-14H2,1-6H3
InChIKeyBBFYWXLQHFLLFN-UHFFFAOYSA-N
MW398.61 g/mol
LogP3.25
Rot. Bonds6

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide (PubChem CID 2939453) has the molecular formula C21H38N2O3S and a molecular weight of 398.61 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide
PubChem CID2939453
Molecular FormulaC21H38N2O3S
Molecular Weight398.61 g/mol
Exact Mass398.26
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide
SMILESCC1(C)CC(CCNS(=O)(=O)CC23CCC(CC2=O)C3(C)C)CC(C)(C)N1
InChIInChI=1S/C21H38N2O3S/c1-18(2)12-15(13-19(3,4)23-18)8-10-22-27(25,26)14-21-9-7-16(11-17(21)24)20(21,5)6/h15-16,22-23H,7-14H2,1-6H3
InChIKeyBBFYWXLQHFLLFN-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.61
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide (CID 2939453) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide is CC1(C)CC(CCNS(=O)(=O)CC23CCC(CC2=O)C3(C)C)CC(C)(C)N1.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide?
The InChIKey is BBFYWXLQHFLLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3S/c1-18(2)12-15(13-19(3,4)23-18)8-10-22-27(25,26)14-21-9-7-16(11-17(21)24)20(21,5)6/h15-16,22-23H,7-14H2,1-6H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide has a molecular weight of 398.61 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 2939453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).