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

C21H27NO3S — CID 11291762

IUPAC1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
SMILESCC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1cccc3ccccc13)[C@@H](O)C2
InChIInChI=1S/C21H27NO3S/c1-20(2)17-10-11-21(20,19(23)12-17)14-26(24,25)22-13-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,17,19,22-23H,10-14H2,1-2H3/t17-,19-,21-/m0/s1
InChIKeyFYLFKNGZSWLJKH-CUWPLCDZSA-N
MW373.52 g/mol
LogP3.45
Rot. Bonds5

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

1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide (PubChem CID 11291762) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
PubChem CID11291762
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide
SMILESCC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1cccc3ccccc13)[C@@H](O)C2
InChIInChI=1S/C21H27NO3S/c1-20(2)17-10-11-21(20,19(23)12-17)14-26(24,25)22-13-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,17,19,22-23H,10-14H2,1-2H3/t17-,19-,21-/m0/s1
InChIKeyFYLFKNGZSWLJKH-CUWPLCDZSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyloxan-4-yl)-N-(naphthalen-1-ylmethyl)methanesulfonamide
CID 146149447
1-[(2R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-[(1R,2R)-2-[[(4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]cyclohexyl]methanesulfonamide
CID 156666604
[(1S,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
CID 142707993
(2R)-2-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]-4-methyl-2H-furan-5-one
CID 15885102
(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 14593278
(2R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 70073095
N-(3,3-dimethylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 115880924
(1R,2S,4S)-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 10363693
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
methyl (Z)-3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]prop-2-enoate
CID 23254199
[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methyl-methyl-phenylselanium chloride
CID 11057487
N,N-dicyclohexyl-1-[(2S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 22831418

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide (CID 11291762) is 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide is CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)NCc1cccc3ccccc13)[C@@H](O)C2.
What is the InChIKey of 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide?
The InChIKey is FYLFKNGZSWLJKH-CUWPLCDZSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-20(2)17-10-11-21(20,19(23)12-17)14-26(24,25)22-13-16-8-5-7-15-6-3-4-9-18(15)16/h3-9,17,19,22-23H,10-14H2,1-2H3/t17-,19-,21-/m0/s1.
What are the key properties of 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide?
1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]-N-(naphthalen-1-ylmethyl)methanesulfonamide is sourced from PubChem (CID 11291762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).