2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole

C17H17N3O5S2 — CID 9188003

IUPAC2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)o1
InChIInChI=1S/C17H17N3O5S2/c1-26(21,22)17-19-18-16(25-17)15-7-4-10-20(15)27(23,24)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3/t15-/m0/s1
InChIKeyWAJBGOXTMCHVJX-HNNXBMFYSA-N
MW407.47 g/mol
LogP2.15
Rot. Bonds4

About 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole

2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole (PubChem CID 9188003) has the molecular formula C17H17N3O5S2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
PubChem CID9188003
Molecular FormulaC17H17N3O5S2
Molecular Weight407.47 g/mol
Exact Mass407.06
IUPAC Name2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)o1
InChIInChI=1S/C17H17N3O5S2/c1-26(21,22)17-19-18-16(25-17)15-7-4-10-20(15)27(23,24)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3/t15-/m0/s1
InChIKeyWAJBGOXTMCHVJX-HNNXBMFYSA-N
XLogP2.15
TPSA110.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 11937567
2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 9187917
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
CID 93016250
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 11937565
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
5-(2,4-difluorophenyl)-2-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3-benzoxazole
CID 93016318
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
2-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 110224612
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92576765
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 136542510
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole (CID 9188003) is 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole is CS(=O)(=O)c1nnc([C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)o1.
What is the InChIKey of 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is WAJBGOXTMCHVJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O5S2/c1-26(21,22)17-19-18-16(25-17)15-7-4-10-20(15)27(23,24)14-9-8-12-5-2-3-6-13(12)11-14/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3/t15-/m0/s1.
What are the key properties of 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole?
2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 407.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 9188003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).