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

C14H25NO3S — CID 23244664

IUPAC1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C14H25NO3S/c1-10(2)8-15-19(17,18)9-14-6-5-11(7-12(14)16)13(14,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyJDCFFRUNURCKIS-UHFFFAOYSA-N
MW287.42 g/mol
LogP1.96
Rot. Bonds5

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

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide (PubChem CID 23244664) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide
PubChem CID23244664
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/C14H25NO3S/c1-10(2)8-15-19(17,18)9-14-6-5-11(7-12(14)16)13(14,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyJDCFFRUNURCKIS-UHFFFAOYSA-N
XLogP1.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methylpropyl)methanesulfonamide?
The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide (CID 23244664) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide is CC(C)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-methylpropyl)methanesulfonamide?
The InChIKey is JDCFFRUNURCKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-10(2)8-15-19(17,18)9-14-6-5-11(7-12(14)16)13(14,3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide?
1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 287.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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-methylpropyl)methanesulfonamide is sourced from PubChem (CID 23244664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).