[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone

C11H19N3OS2 — CID 169318452

IUPAC[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C([C@@H]1CSC2(CCNC2)N1)N1CCSCC1
InChIInChI=1S/C11H19N3OS2/c15-10(14-3-5-16-6-4-14)9-7-17-11(13-9)1-2-12-8-11/h9,12-13H,1-8H2/t9-,11?/m0/s1
InChIKeyBBVPNDGJLYKJHM-FTNKSUMCSA-N
MW273.43 g/mol
LogP-0.04
Rot. Bonds1

About [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone

[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 169318452) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID169318452
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C([C@@H]1CSC2(CCNC2)N1)N1CCSCC1
InChIInChI=1S/C11H19N3OS2/c15-10(14-3-5-16-6-4-14)9-7-17-11(13-9)1-2-12-8-11/h9,12-13H,1-8H2/t9-,11?/m0/s1
InChIKeyBBVPNDGJLYKJHM-FTNKSUMCSA-N
XLogP-0.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone (CID 169318452) is [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone is O=C([C@@H]1CSC2(CCNC2)N1)N1CCSCC1.
What is the InChIKey of [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is BBVPNDGJLYKJHM-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H19N3OS2/c15-10(14-3-5-16-6-4-14)9-7-17-11(13-9)1-2-12-8-11/h9,12-13H,1-8H2/t9-,11?/m0/s1.
What are the key properties of [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone?
[(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 273.43 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-thia-4,7-diazaspiro[4.4]nonan-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 169318452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).