[(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone

C10H17N3OS2 — CID 169318560

IUPAC[(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone
SMILESO=C([C@@H]1CSC2(CNC2)N1)N1CCSCC1
InChIInChI=1S/C10H17N3OS2/c14-9(13-1-3-15-4-2-13)8-5-16-10(12-8)6-11-7-10/h8,11-12H,1-7H2/t8-/m0/s1
InChIKeyPNGTUKIDAHAEBG-QMMMGPOBSA-N
MW259.40 g/mol
LogP-0.43
Rot. Bonds1

About [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone

[(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone (PubChem CID 169318560) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone
PubChem CID169318560
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name[(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone
SMILESO=C([C@@H]1CSC2(CNC2)N1)N1CCSCC1
InChIInChI=1S/C10H17N3OS2/c14-9(13-1-3-15-4-2-13)8-5-16-10(12-8)6-11-7-10/h8,11-12H,1-7H2/t8-/m0/s1
InChIKeyPNGTUKIDAHAEBG-QMMMGPOBSA-N
XLogP-0.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone (CID 169318560) is [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone is O=C([C@@H]1CSC2(CNC2)N1)N1CCSCC1.
What is the InChIKey of [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is PNGTUKIDAHAEBG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3OS2/c14-9(13-1-3-15-4-2-13)8-5-16-10(12-8)6-11-7-10/h8,11-12H,1-7H2/t8-/m0/s1.
What are the key properties of [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone?
[(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 259.40 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-5-thia-2,8-diazaspiro[3.4]octan-7-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 169318560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).