5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C15H14N2O3S2 — CID 94828409

IUPAC5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H14N2O3S2/c1-11(22(18,19)10-12-6-3-2-4-7-12)15-16-14(17-20-15)13-8-5-9-21-13/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyGUIYBXXOLFDPSX-NSHDSACASA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds5

About 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 94828409) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID94828409
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H14N2O3S2/c1-11(22(18,19)10-12-6-3-2-4-7-12)15-16-14(17-20-15)13-8-5-9-21-13/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyGUIYBXXOLFDPSX-NSHDSACASA-N
XLogP3.47
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621
5-[(1R)-1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94171443
5-(1-benzylsulfonylethyl)-3-methyl-1,2,4-oxadiazole
CID 47206683
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
3-methylsulfonyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43095881
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
CID 47206964
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol
CID 110888227
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
methyl (3R)-3-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylbutanoate
CID 96550466
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 94828409) is 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is GUIYBXXOLFDPSX-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-11(22(18,19)10-12-6-3-2-4-7-12)15-16-14(17-20-15)13-8-5-9-21-13/h2-9,11H,10H2,1H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 94828409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).