(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C9H15N3O4S — CID 104912535

IUPAC(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC(c1noc([C@@H]2C[C@H](O)CN2)n1)S(C)(=O)=O
InChIInChI=1S/C9H15N3O4S/c1-5(17(2,14)15)8-11-9(16-12-8)7-3-6(13)4-10-7/h5-7,10,13H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKeyFTEVGMAWCVEOPS-BYRXKDITSA-N
MW261.30 g/mol
LogP-0.43
Rot. Bonds3

About (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912535) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912535
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC(c1noc([C@@H]2C[C@H](O)CN2)n1)S(C)(=O)=O
InChIInChI=1S/C9H15N3O4S/c1-5(17(2,14)15)8-11-9(16-12-8)7-3-6(13)4-10-7/h5-7,10,13H,3-4H2,1-2H3/t5?,6-,7-/m0/s1
InChIKeyFTEVGMAWCVEOPS-BYRXKDITSA-N
XLogP-0.43
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085
(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812910
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812934
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
3-(1-methylsulfonylethyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 116632674
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 116633548
5-[(2R,4S)-4-hydroxypyrrolidin-2-yl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 106812946
5-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107925124
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912535) is (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CC(c1noc([C@@H]2C[C@H](O)CN2)n1)S(C)(=O)=O.
What is the InChIKey of (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is FTEVGMAWCVEOPS-BYRXKDITSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-5(17(2,14)15)8-11-9(16-12-8)7-3-6(13)4-10-7/h5-7,10,13H,3-4H2,1-2H3/t5?,6-,7-/m0/s1.
What are the key properties of (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 261.30 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).