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

C19H27NO4S — CID 59854274

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide
SMILESCC(O)C(NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)c1ccccc1
InChIInChI=1S/C19H27NO4S/c1-13(21)17(14-7-5-4-6-8-14)20-25(23,24)12-19-10-9-15(11-16(19)22)18(19,2)3/h4-8,13,15,17,20-21H,9-12H2,1-3H3
InChIKeyBXIVXSSGAQJYBZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.42
Rot. Bonds6

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

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide (PubChem CID 59854274) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide
PubChem CID59854274
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide
SMILESCC(O)C(NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)c1ccccc1
InChIInChI=1S/C19H27NO4S/c1-13(21)17(14-7-5-4-6-8-14)20-25(23,24)12-19-10-9-15(11-16(19)22)18(19,2)3/h4-8,13,15,17,20-21H,9-12H2,1-3H3
InChIKeyBXIVXSSGAQJYBZ-UHFFFAOYSA-N
XLogP2.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-1-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide (CID 59854274) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide is CC(O)C(NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)c1ccccc1.
What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide?
The InChIKey is BXIVXSSGAQJYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-13(21)17(14-7-5-4-6-8-14)20-25(23,24)12-19-10-9-15(11-16(19)22)18(19,2)3/h4-8,13,15,17,20-21H,9-12H2,1-3H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-1-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 59854274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).