1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide

C16H27NO4S — CID 100853273

IUPAC1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@@H]1CCCO1
InChIInChI=1S/C16H27NO4S/c1-11(13-5-4-8-21-13)17-22(19,20)10-16-7-6-12(9-14(16)18)15(16,2)3/h11-13,17H,4-10H2,1-3H3/t11-,12-,13-,16-/m0/s1
InChIKeyOSKZDCWGQXAVGF-QCQGSNGOSA-N
MW329.46 g/mol
LogP1.87
Rot. Bonds5

About 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide

1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide (PubChem CID 100853273) has the molecular formula C16H27NO4S and a molecular weight of 329.46 g/mol. Its IUPAC name is 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
PubChem CID100853273
Molecular FormulaC16H27NO4S
Molecular Weight329.46 g/mol
Exact Mass329.17
IUPAC Name1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@@H]1CCCO1
InChIInChI=1S/C16H27NO4S/c1-11(13-5-4-8-21-13)17-22(19,20)10-16-7-6-12(9-14(16)18)15(16,2)3/h11-13,17H,4-10H2,1-3H3/t11-,12-,13-,16-/m0/s1
InChIKeyOSKZDCWGQXAVGF-QCQGSNGOSA-N
XLogP1.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

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
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-methylpropanamide
CID 142632514
(2R)-2-[[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-3-methylbutanamide
CID 100909941
(2S)-3-amino-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]propanoic acid;hydrochloride
CID 70234659
(1R,4S)-1-[[(2R)-2-[(1R)-1-aminoethyl]morpholin-4-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 100910376
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide
CID 51707485
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2S,4S)-4-hydroxy-2-methylpentyl]methanesulfonamide
CID 100845712
2-[[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]acetic acid
CID 98219170
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 11917730
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
N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430829
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 55508408

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide (CID 100853273) is 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide is C[C@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)[C@@H]1CCCO1.
What is the InChIKey of 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The InChIKey is OSKZDCWGQXAVGF-QCQGSNGOSA-N. The full InChI is InChI=1S/C16H27NO4S/c1-11(13-5-4-8-21-13)17-22(19,20)10-16-7-6-12(9-14(16)18)15(16,2)3/h11-13,17H,4-10H2,1-3H3/t11-,12-,13-,16-/m0/s1.
What are the key properties of 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide has a molecular weight of 329.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 100853273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).