2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide

C16H15N3O3S2 — CID 139002474

IUPAC2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide
SMILESO=S1(=O)CCC2(CC1)CC2c1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C16H15N3O3S2/c20-24(21)5-2-16(3-6-24)8-11(16)15-18-14(19-22-15)10-7-13-12(17-9-10)1-4-23-13/h1,4,7,9,11H,2-3,5-6,8H2
InChIKeyZZPWGNFAKFMGKW-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.03
Rot. Bonds2

About 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide

2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide (PubChem CID 139002474) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide.

Molecular Properties

Compound Name2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide
PubChem CID139002474
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide
SMILESO=S1(=O)CCC2(CC1)CC2c1nc(-c2cnc3ccsc3c2)no1
InChIInChI=1S/C16H15N3O3S2/c20-24(21)5-2-16(3-6-24)8-11(16)15-18-14(19-22-15)10-7-13-12(17-9-10)1-4-23-13/h1,4,7,9,11H,2-3,5-6,8H2
InChIKeyZZPWGNFAKFMGKW-UHFFFAOYSA-N
XLogP3.03
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide with MolForge

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Launch Full Analysis

Related Compounds

5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
CID 107436533
(3R,5R)-5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912463
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 114351072
3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474611
cyclopropyl-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 81146654
N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81148400
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81147332
1-cyclopropyl-N-methyl-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81147622
2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 81147965
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 81147334
(2R)-2-amino-2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915885
3-methoxy-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 81147073

Frequently Asked Questions

What is the IUPAC name of 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The IUPAC name of 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide (CID 139002474) is 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide.
What is the SMILES notation for 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The canonical SMILES for 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide is O=S1(=O)CCC2(CC1)CC2c1nc(-c2cnc3ccsc3c2)no1.
What is the InChIKey of 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The InChIKey is ZZPWGNFAKFMGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c20-24(21)5-2-16(3-6-24)8-11(16)15-18-14(19-22-15)10-7-13-12(17-9-10)1-4-23-13/h1,4,7,9,11H,2-3,5-6,8H2.
What are the key properties of 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide has a molecular weight of 361.45 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)-6λ6-thiaspiro[2.5]octane 6,6-dioxide is sourced from PubChem (CID 139002474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).