(3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one

C11H10N2O3S2 — CID 95168575

IUPAC(3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nnc(Cc2cccs2)o1
InChIInChI=1S/C11H10N2O3S2/c14-10-8(3-4-15-10)18-11-13-12-9(16-11)6-7-2-1-5-17-7/h1-2,5,8H,3-4,6H2/t8-/m0/s1
InChIKeyYIIKVDXXJRTPTE-QMMMGPOBSA-N
MW282.35 g/mol
LogP2.13
Rot. Bonds4

About (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one

(3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (PubChem CID 95168575) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
PubChem CID95168575
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Name(3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nnc(Cc2cccs2)o1
InChIInChI=1S/C11H10N2O3S2/c14-10-8(3-4-15-10)18-11-13-12-9(16-11)6-7-2-1-5-17-7/h1-2,5,8H,3-4,6H2/t8-/m0/s1
InChIKeyYIIKVDXXJRTPTE-QMMMGPOBSA-N
XLogP2.13
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The IUPAC name of (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (CID 95168575) is (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is O=C1OCC[C@@H]1Sc1nnc(Cc2cccs2)o1.
What is the InChIKey of (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The InChIKey is YIIKVDXXJRTPTE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c14-10-8(3-4-15-10)18-11-13-12-9(16-11)6-7-2-1-5-17-7/h1-2,5,8H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
(3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is sourced from PubChem (CID 95168575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).