N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

C16H21N3O5S — CID 91792246

IUPACN-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCOC[C@@H]1[C@@H](NS(=O)(=O)c2c(C)cc(C)c3nonc23)[C@@H]2CCO[C@H]12
InChIInChI=1S/C16H21N3O5S/c1-8-6-9(2)16(14-12(8)17-24-18-14)25(20,21)19-13-10-4-5-23-15(10)11(13)7-22-3/h6,10-11,13,15,19H,4-5,7H2,1-3H3/t10-,11+,13-,15-/m0/s1
InChIKeyFIUMZANFHTYKKT-WJNVRWDZSA-N
MW367.43 g/mol
LogP1.17
Rot. Bonds5

About N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 91792246) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID91792246
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCOC[C@@H]1[C@@H](NS(=O)(=O)c2c(C)cc(C)c3nonc23)[C@@H]2CCO[C@H]12
InChIInChI=1S/C16H21N3O5S/c1-8-6-9(2)16(14-12(8)17-24-18-14)25(20,21)19-13-10-4-5-23-15(10)11(13)7-22-3/h6,10-11,13,15,19H,4-5,7H2,1-3H3/t10-,11+,13-,15-/m0/s1
InChIKeyFIUMZANFHTYKKT-WJNVRWDZSA-N
XLogP1.17
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide with MolForge

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Related Compounds

N-[(1R,5R,6S,7R)-6-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
CID 91792762
4-fluoro-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylbenzenesulfonamide
CID 91794281
N-[(3R,4S)-3-methoxyoxan-4-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 164631156
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 91771508
4-chloro-3-[[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]sulfamoyl]benzoic acid
CID 91771830
1-(4-chloro-2-fluorophenyl)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]methanesulfonamide
CID 91768560
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 133267242
2-(3,4-dichlorophenyl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133264692
1-ethyl-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 91760552
2-hydroxy-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylbenzamide
CID 91765257
5-ethyl-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidin-2-amine
CID 164626437
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91842908

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 91792246) is N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is COC[C@@H]1[C@@H](NS(=O)(=O)c2c(C)cc(C)c3nonc23)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is FIUMZANFHTYKKT-WJNVRWDZSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-8-6-9(2)16(14-12(8)17-24-18-14)25(20,21)19-13-10-4-5-23-15(10)11(13)7-22-3/h6,10-11,13,15,19H,4-5,7H2,1-3H3/t10-,11+,13-,15-/m0/s1.
What are the key properties of N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide?
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 91792246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).