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

C17H29NO3S — CID 51707485

IUPAC1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide
SMILESC[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C
InChIInChI=1S/C17H29NO3S/c1-12-6-4-5-7-14(12)18-22(20,21)11-17-9-8-13(10-15(17)19)16(17,2)3/h12-14,18H,4-11H2,1-3H3/t12-,13+,14-,17+/m0/s1
InChIKeyYQQRJBLXGCFZJX-QDEZUTFSSA-N
MW327.49 g/mol
LogP2.88
Rot. Bonds4

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

1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide (PubChem CID 51707485) has the molecular formula C17H29NO3S and a molecular weight of 327.49 g/mol. Its IUPAC name is 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide
PubChem CID51707485
Molecular FormulaC17H29NO3S
Molecular Weight327.49 g/mol
Exact Mass327.19
IUPAC Name1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide
SMILESC[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C
InChIInChI=1S/C17H29NO3S/c1-12-6-4-5-7-14(12)18-22(20,21)11-17-9-8-13(10-15(17)19)16(17,2)3/h12-14,18H,4-11H2,1-3H3/t12-,13+,14-,17+/m0/s1
InChIKeyYQQRJBLXGCFZJX-QDEZUTFSSA-N
XLogP2.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 11917730
N-cyclopentyl-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 4650688
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
2-[[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]acetic acid
CID 98219170
N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430829
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;piperazine
CID 25085712
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
CID 53427530
CID 53427530
7,7-dimethyl-1-(methylsulfonylmethylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
CID 158455361
N-(1-benzylpiperidin-4-yl)-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2142650

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide?
The IUPAC name of 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide (CID 51707485) is 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide.
What is the SMILES notation for 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide?
The canonical SMILES for 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide is C[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C.
What is the InChIKey of 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide?
The InChIKey is YQQRJBLXGCFZJX-QDEZUTFSSA-N. The full InChI is InChI=1S/C17H29NO3S/c1-12-6-4-5-7-14(12)18-22(20,21)11-17-9-8-13(10-15(17)19)16(17,2)3/h12-14,18H,4-11H2,1-3H3/t12-,13+,14-,17+/m0/s1.
What are the key properties of 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide?
1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide has a molecular weight of 327.49 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(1S,2S)-2-methylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 51707485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).