7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine

C15H19N3S — CID 164631337

IUPAC7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine
SMILESc1cc(N2CC[C@@]3(CCCNC3)C2)c2sccc2n1
InChIInChI=1S/C15H19N3S/c1-4-15(10-16-6-1)5-8-18(11-15)13-2-7-17-12-3-9-19-14(12)13/h2-3,7,9,16H,1,4-6,8,10-11H2/t15-/m1/s1
InChIKeyBBEKZLISGDINJL-OAHLLOKOSA-N
MW273.40 g/mol
LogP2.88
Rot. Bonds1

About 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine

7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine (PubChem CID 164631337) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine
PubChem CID164631337
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine
SMILESc1cc(N2CC[C@@]3(CCCNC3)C2)c2sccc2n1
InChIInChI=1S/C15H19N3S/c1-4-15(10-16-6-1)5-8-18(11-15)13-2-7-17-12-3-9-19-14(12)13/h2-3,7,9,16H,1,4-6,8,10-11H2/t15-/m1/s1
InChIKeyBBEKZLISGDINJL-OAHLLOKOSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine (CID 164631337) is 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine is c1cc(N2CC[C@@]3(CCCNC3)C2)c2sccc2n1.
What is the InChIKey of 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine?
The InChIKey is BBEKZLISGDINJL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-15(10-16-6-1)5-8-18(11-15)13-2-7-17-12-3-9-19-14(12)13/h2-3,7,9,16H,1,4-6,8,10-11H2/t15-/m1/s1.
What are the key properties of 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine?
7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine has a molecular weight of 273.40 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 164631337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).