3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide

C15H24N2O3S — CID 98393451

IUPAC3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C15H24N2O3S/c1-9-13(10(2)20-16-9)21(18,19)17-12-8-11-6-7-15(12,5)14(11,3)4/h11-12,17H,6-8H2,1-5H3/t11-,12+,15-/m0/s1
InChIKeyDOIIVEYIRBJKNR-ZOWXZIJZSA-N
MW312.44 g/mol
LogP2.78
Rot. Bonds3

About 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide (PubChem CID 98393451) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide
PubChem CID98393451
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C15H24N2O3S/c1-9-13(10(2)20-16-9)21(18,19)17-12-8-11-6-7-15(12,5)14(11,3)4/h11-12,17H,6-8H2,1-5H3/t11-,12+,15-/m0/s1
InChIKeyDOIIVEYIRBJKNR-ZOWXZIJZSA-N
XLogP2.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762749
4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540246
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207
N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95984012
N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
CID 23308718
N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 56882966
N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106367635
5-methyl-3-phenyl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
CID 18532251
1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide
CID 136532485
5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
CID 26918414
1,7,7-trimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103931540
N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60660895

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide (CID 98393451) is 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is DOIIVEYIRBJKNR-ZOWXZIJZSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-9-13(10(2)20-16-9)21(18,19)17-12-8-11-6-7-15(12,5)14(11,3)4/h11-12,17H,6-8H2,1-5H3/t11-,12+,15-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 98393451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).