1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide

C17H25NO4S — CID 23251525

IUPAC1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C[C@]23CC[C@H](C[C@H]2O)C3(C)C)cc1
InChIInChI=1S/C17H25NO4S/c1-16(2)12-8-9-17(16,15(19)10-12)11-23(20,21)18-13-4-6-14(22-3)7-5-13/h4-7,12,15,18-19H,8-11H2,1-3H3/t12-,15-,17-/m1/s1
InChIKeyGFCYWJVXRBHMIG-SRCQZFHVSA-N
MW339.46 g/mol
LogP2.62
Rot. Bonds5

About 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide

1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide (PubChem CID 23251525) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide
PubChem CID23251525
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C[C@]23CC[C@H](C[C@H]2O)C3(C)C)cc1
InChIInChI=1S/C17H25NO4S/c1-16(2)12-8-9-17(16,15(19)10-12)11-23(20,21)18-13-4-6-14(22-3)7-5-13/h4-7,12,15,18-19H,8-11H2,1-3H3/t12-,15-,17-/m1/s1
InChIKeyGFCYWJVXRBHMIG-SRCQZFHVSA-N
XLogP2.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)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

1-(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)-N-phenylmethanesulfonamide
CID 74033660
1-[(1S,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-[[4-[[[(1S,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]methyl]phenyl]methyl]methanesulfonamide
CID 101248125
[(1R,2S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 174646583
[(1S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 142707993
3-[(dimethylamino)methyl]-1-[[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]-4-(3-methoxyphenyl)piperidin-4-ol
CID 167321725
N-[(1S,2S)-2-aminocyclohexyl]-1-[(1S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 10019560
3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfanyl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 10319004
methyl (1S,2S)-4-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]-2-methoxycyclohex-3-ene-1-carboxylate
CID 102518560
(1S,2R,4R)-1-[[(R)-1-(6-methoxy-3,4-dihydronaphthalen-1-yl)ethenylsulfinyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11269194
(1S,2R,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 10386472
(2R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 70073095
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide (CID 23251525) is 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide is COc1ccc(NS(=O)(=O)C[C@]23CC[C@H](C[C@H]2O)C3(C)C)cc1.
What is the InChIKey of 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is GFCYWJVXRBHMIG-SRCQZFHVSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-16(2)12-8-9-17(16,15(19)10-12)11-23(20,21)18-13-4-6-14(22-3)7-5-13/h4-7,12,15,18-19H,8-11H2,1-3H3/t12-,15-,17-/m1/s1.
What are the key properties of 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide?
1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 23251525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).