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

C20H37ClN2O3S — CID 2939067

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride
SMILESCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C.Cl
InChIInChI=1S/C20H36N2O3S.ClH/c1-17(2)11-15(12-18(3,4)21-17)22(7)26(24,25)13-20-9-8-14(10-16(20)23)19(20,5)6;/h14-15,21H,8-13H2,1-7H3;1H
InChIKeyJAAKWIHAZYDCQI-UHFFFAOYSA-N
MW421.05 g/mol
LogP3.37
Rot. Bonds4

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

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride (PubChem CID 2939067) has the molecular formula C20H37ClN2O3S and a molecular weight of 421.05 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride
PubChem CID2939067
Molecular FormulaC20H37ClN2O3S
Molecular Weight421.05 g/mol
Exact Mass420.22
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride
SMILESCN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C.Cl
InChIInChI=1S/C20H36N2O3S.ClH/c1-17(2)11-15(12-18(3,4)21-17)22(7)26(24,25)13-20-9-8-14(10-16(20)23)19(20,5)6;/h14-15,21H,8-13H2,1-7H3;1H
InChIKeyJAAKWIHAZYDCQI-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.05
LogP ≤ 53.37
H-Bond Donors ≤ 51
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-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride (CID 2939067) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride is CN(C1CC(C)(C)NC(C)(C)C1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C.Cl.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride?
The InChIKey is JAAKWIHAZYDCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3S.ClH/c1-17(2)11-15(12-18(3,4)21-17)22(7)26(24,25)13-20-9-8-14(10-16(20)23)19(20,5)6;/h14-15,21H,8-13H2,1-7H3;1H.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride has a molecular weight of 421.05 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 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-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 2939067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).