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

C10H17N3O5S2 — CID 11937565

IUPAC2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCC[C@H]1c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C10H17N3O5S2/c1-3-7-20(16,17)13-6-4-5-8(13)9-11-12-10(18-9)19(2,14)15/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyYELSGNMLSHWSRB-QMMMGPOBSA-N
MW323.40 g/mol
LogP0.35
Rot. Bonds5

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

2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole (PubChem CID 11937565) has the molecular formula C10H17N3O5S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
PubChem CID11937565
Molecular FormulaC10H17N3O5S2
Molecular Weight323.40 g/mol
Exact Mass323.06
IUPAC Name2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCCCS(=O)(=O)N1CCC[C@H]1c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C10H17N3O5S2/c1-3-7-20(16,17)13-6-4-5-8(13)9-11-12-10(18-9)19(2,14)15/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyYELSGNMLSHWSRB-QMMMGPOBSA-N
XLogP0.35
TPSA110.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole (CID 11937565) is 2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole is CCCS(=O)(=O)N1CCC[C@H]1c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is YELSGNMLSHWSRB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O5S2/c1-3-7-20(16,17)13-6-4-5-8(13)9-11-12-10(18-9)19(2,14)15/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole?
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 0.35, 5 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-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 11937565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).