[8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol

C17H23N3O2S — CID 90108058

IUPAC[8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol
SMILESNc1cnc2ccsc2c1NC1(CO)CCC2(CCCO2)CC1
InChIInChI=1S/C17H23N3O2S/c18-12-10-19-13-2-9-23-15(13)14(12)20-16(11-21)4-6-17(7-5-16)3-1-8-22-17/h2,9-10,21H,1,3-8,11,18H2,(H,19,20)
InChIKeyQDPATFNTUXKAQX-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.14
Rot. Bonds3

About [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol

[8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol (PubChem CID 90108058) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol
PubChem CID90108058
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name[8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol
SMILESNc1cnc2ccsc2c1NC1(CO)CCC2(CCCO2)CC1
InChIInChI=1S/C17H23N3O2S/c18-12-10-19-13-2-9-23-15(13)14(12)20-16(11-21)4-6-17(7-5-16)3-1-8-22-17/h2,9-10,21H,1,3-8,11,18H2,(H,19,20)
InChIKeyQDPATFNTUXKAQX-UHFFFAOYSA-N
XLogP3.14
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol (CID 90108058) is [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol is Nc1cnc2ccsc2c1NC1(CO)CCC2(CCCO2)CC1.
What is the InChIKey of [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol?
The InChIKey is QDPATFNTUXKAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c18-12-10-19-13-2-9-23-15(13)14(12)20-16(11-21)4-6-17(7-5-16)3-1-8-22-17/h2,9-10,21H,1,3-8,11,18H2,(H,19,20).
What are the key properties of [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol?
[8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol has a molecular weight of 333.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(6-aminothieno[3,2-b]pyridin-7-yl)amino]-1-oxaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 90108058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).