(8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine

C17H19NS — CID 157232786

IUPAC(8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine
SMILESc1cc2n(c1)[C@@H](C1CCC3(CC1)CC3)c1sccc1-2
InChIInChI=1S/C17H19NS/c1-2-14-13-5-11-19-16(13)15(18(14)10-1)12-3-6-17(7-4-12)8-9-17/h1-2,5,10-12,15H,3-4,6-9H2/t15-/m0/s1
InChIKeyVQOPVEMWZFMJJQ-HNNXBMFYSA-N
MW269.41 g/mol
LogP5.09
Rot. Bonds1

About (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine

(8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine (PubChem CID 157232786) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine.

Molecular Properties

Compound Name(8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine
PubChem CID157232786
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name(8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine
SMILESc1cc2n(c1)[C@@H](C1CCC3(CC1)CC3)c1sccc1-2
InChIInChI=1S/C17H19NS/c1-2-14-13-5-11-19-16(13)15(18(14)10-1)12-3-6-17(7-4-12)8-9-17/h1-2,5,10-12,15H,3-4,6-9H2/t15-/m0/s1
InChIKeyVQOPVEMWZFMJJQ-HNNXBMFYSA-N
XLogP5.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine?
The IUPAC name of (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine (CID 157232786) is (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine.
What is the SMILES notation for (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine?
The canonical SMILES for (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine is c1cc2n(c1)[C@@H](C1CCC3(CC1)CC3)c1sccc1-2.
What is the InChIKey of (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine?
The InChIKey is VQOPVEMWZFMJJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-14-13-5-11-19-16(13)15(18(14)10-1)12-3-6-17(7-4-12)8-9-17/h1-2,5,10-12,15H,3-4,6-9H2/t15-/m0/s1.
What are the key properties of (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine?
(8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine has a molecular weight of 269.41 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-spiro[2.5]octan-6-yl-8H-thieno[3,2-a]pyrrolizine is sourced from PubChem (CID 157232786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).