(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol

C15H23N3O5S — CID 129328010

IUPAC(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(CC[C@H]1CCCO1)N1CC[C@@](O)(c2nc(C3CC3)no2)C1
InChIInChI=1S/C15H23N3O5S/c19-15(14-16-13(17-23-14)11-3-4-11)6-7-18(10-15)24(20,21)9-5-12-2-1-8-22-12/h11-12,19H,1-10H2/t12-,15+/m1/s1
InChIKeyXRWYLUMNRBPJEL-DOMZBBRYSA-N
MW357.43 g/mol
LogP0.74
Rot. Bonds6

About (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol

(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol (PubChem CID 129328010) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol
PubChem CID129328010
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(CC[C@H]1CCCO1)N1CC[C@@](O)(c2nc(C3CC3)no2)C1
InChIInChI=1S/C15H23N3O5S/c19-15(14-16-13(17-23-14)11-3-4-11)6-7-18(10-15)24(20,21)9-5-12-2-1-8-22-12/h11-12,19H,1-10H2/t12-,15+/m1/s1
InChIKeyXRWYLUMNRBPJEL-DOMZBBRYSA-N
XLogP0.74
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(2,4-difluorophenyl)methylsulfonyl]pyrrolidin-3-ol
CID 129326464
2-[4-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]acetonitrile
CID 129326342
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpyrrolidin-3-ol
CID 129471869
(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]pyrrolidin-3-ol
CID 129471853
(3R)-1-(oxan-4-ylmethylsulfonyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 129325715
(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
CID 97226472
5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 132972034
(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine
CID 100897842
(3aS,9aS,9bR)-2-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine
CID 97080599
N,N-dimethyl-2-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
CID 97339756
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-sulfonamide
CID 95098258
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-sulfonamide
CID 53155183

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol (CID 129328010) is (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol is O=S(=O)(CC[C@H]1CCCO1)N1CC[C@@](O)(c2nc(C3CC3)no2)C1.
What is the InChIKey of (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol?
The InChIKey is XRWYLUMNRBPJEL-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c19-15(14-16-13(17-23-14)11-3-4-11)6-7-18(10-15)24(20,21)9-5-12-2-1-8-22-12/h11-12,19H,1-10H2/t12-,15+/m1/s1.
What are the key properties of (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol?
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol has a molecular weight of 357.43 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 129328010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).