1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide

C12H21NO3S — CID 2946887

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C12H21NO3S/c1-11(2)9-5-6-12(11,10(14)7-9)8-17(15,16)13(3)4/h9H,5-8H2,1-4H3
InChIKeyNDGHFRZPGHCOFE-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.27
Rot. Bonds3

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide (PubChem CID 2946887) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide
PubChem CID2946887
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C12H21NO3S/c1-11(2)9-5-6-12(11,10(14)7-9)8-17(15,16)13(3)4/h9H,5-8H2,1-4H3
InChIKeyNDGHFRZPGHCOFE-UHFFFAOYSA-N
XLogP1.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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,N-dimethylmethanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide (CID 2946887) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide is CN(C)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,N-dimethylmethanesulfonamide?
The InChIKey is NDGHFRZPGHCOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-11(2)9-5-6-12(11,10(14)7-9)8-17(15,16)13(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N,N-dimethylmethanesulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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,N-dimethylmethanesulfonamide is sourced from PubChem (CID 2946887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).