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

C20H36N2O4S — CID 2939471

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide
SMILESCN(C1CC(C)(C)N(O)C(C)(C)C1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C20H36N2O4S/c1-17(2)11-15(12-18(3,4)22(17)24)21(7)27(25,26)13-20-9-8-14(10-16(20)23)19(20,5)6/h14-15,24H,8-13H2,1-7H3
InChIKeyHZMFYJNISHUYQN-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.05
Rot. Bonds4

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

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide (PubChem CID 2939471) has the molecular formula C20H36N2O4S and a molecular weight of 400.59 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide
PubChem CID2939471
Molecular FormulaC20H36N2O4S
Molecular Weight400.59 g/mol
Exact Mass400.24
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide
SMILESCN(C1CC(C)(C)N(O)C(C)(C)C1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C20H36N2O4S/c1-17(2)11-15(12-18(3,4)22(17)24)21(7)27(25,26)13-20-9-8-14(10-16(20)23)19(20,5)6/h14-15,24H,8-13H2,1-7H3
InChIKeyHZMFYJNISHUYQN-UHFFFAOYSA-N
XLogP3.05
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide (CID 2939471) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide is CN(C1CC(C)(C)N(O)C(C)(C)C1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide?
The InChIKey is HZMFYJNISHUYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4S/c1-17(2)11-15(12-18(3,4)22(17)24)21(7)27(25,26)13-20-9-8-14(10-16(20)23)19(20,5)6/h14-15,24H,8-13H2,1-7H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide has a molecular weight of 400.59 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 2939471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).