1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide

C15H27NO5S — CID 86264335

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C15H27NO5S/c1-13(2)11-5-6-15(13,12(17)7-11)10-22(19,20)16-8-14(3,18)9-21-4/h11,16,18H,5-10H2,1-4H3
InChIKeyDATCSLHSMNARMP-UHFFFAOYSA-N
MW333.45 g/mol
LogP0.70
Rot. Bonds7

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide (PubChem CID 86264335) has the molecular formula C15H27NO5S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
PubChem CID86264335
Molecular FormulaC15H27NO5S
Molecular Weight333.45 g/mol
Exact Mass333.16
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C15H27NO5S/c1-13(2)11-5-6-15(13,12(17)7-11)10-22(19,20)16-8-14(3,18)9-21-4/h11,16,18H,5-10H2,1-4H3
InChIKeyDATCSLHSMNARMP-UHFFFAOYSA-N
XLogP0.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide (CID 86264335) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide is COCC(C)(O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide?
The InChIKey is DATCSLHSMNARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5S/c1-13(2)11-5-6-15(13,12(17)7-11)10-22(19,20)16-8-14(3,18)9-21-4/h11,16,18H,5-10H2,1-4H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 86264335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).