2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole

C14H17N3O5S2 — CID 11937567

IUPAC2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C14H17N3O5S2/c1-10-5-7-11(8-6-10)24(20,21)17-9-3-4-12(17)13-15-16-14(22-13)23(2,18)19/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1
InChIKeyZYSMSHYXURKUEI-LBPRGKRZSA-N
MW371.44 g/mol
LogP1.31
Rot. Bonds4

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

2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole (PubChem CID 11937567) has the molecular formula C14H17N3O5S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
PubChem CID11937567
Molecular FormulaC14H17N3O5S2
Molecular Weight371.44 g/mol
Exact Mass371.06
IUPAC Name2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C14H17N3O5S2/c1-10-5-7-11(8-6-10)24(20,21)17-9-3-4-12(17)13-15-16-14(22-13)23(2,18)19/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1
InChIKeyZYSMSHYXURKUEI-LBPRGKRZSA-N
XLogP1.31
TPSA110.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 9187917
2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 9188003
2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92558030
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 11937565
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
(2S)-2-(furan-3-yl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500923
1-[5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861773
2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 11937581

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole (CID 11937567) is 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(S(C)(=O)=O)o2)cc1.
What is the InChIKey of 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
The InChIKey is ZYSMSHYXURKUEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O5S2/c1-10-5-7-11(8-6-10)24(20,21)17-9-3-4-12(17)13-15-16-14(22-13)23(2,18)19/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole?
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole has a molecular weight of 371.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-methylsulfonyl-1,3,4-oxadiazole is sourced from PubChem (CID 11937567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).