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

C20H33NO3S — CID 51109838

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)NC1CC3CCC1(C)C3(C)C)C(=O)C2
InChIInChI=1S/C20H33NO3S/c1-17(2)13-6-8-19(17,5)15(10-13)21-25(23,24)12-20-9-7-14(11-16(20)22)18(20,3)4/h13-15,21H,6-12H2,1-5H3
InChIKeyBZFXSGPGOZMVTB-UHFFFAOYSA-N
MW367.56 g/mol
LogP3.52
Rot. Bonds4

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

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide (PubChem CID 51109838) has the molecular formula C20H33NO3S and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide
PubChem CID51109838
Molecular FormulaC20H33NO3S
Molecular Weight367.56 g/mol
Exact Mass367.22
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCC1(C)C2CCC1(CS(=O)(=O)NC1CC3CCC1(C)C3(C)C)C(=O)C2
InChIInChI=1S/C20H33NO3S/c1-17(2)13-6-8-19(17,5)15(10-13)21-25(23,24)12-20-9-7-14(11-16(20)22)18(20,3)4/h13-15,21H,6-12H2,1-5H3
InChIKeyBZFXSGPGOZMVTB-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 4650688
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide
CID 51707485
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 11917730
2-[[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]acetic acid
CID 98219170
N-(1-benzylpiperidin-4-yl)-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2142650
N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430829
N-(1-benzylpiperidin-1-ium-4-yl)-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2142649
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]methanesulfonamide
CID 100845722
3-[[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]propyl-dimethylazanium chloride
CID 135389995
3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-methylpropanamide
CID 51088742
N-[2-(4-chlorophenyl)ethyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2422576
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 124631888

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide (CID 51109838) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide is CC1(C)C2CCC1(CS(=O)(=O)NC1CC3CCC1(C)C3(C)C)C(=O)C2.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The InChIKey is BZFXSGPGOZMVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3S/c1-17(2)13-6-8-19(17,5)15(10-13)21-25(23,24)12-20-9-7-14(11-16(20)22)18(20,3)4/h13-15,21H,6-12H2,1-5H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide has a molecular weight of 367.56 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanesulfonamide is sourced from PubChem (CID 51109838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).