[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone

C12H21N3OS2 — CID 169318471

IUPAC[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C([C@@H]1CSC2(CCNCC2)N1)N1CCSCC1
InChIInChI=1S/C12H21N3OS2/c16-11(15-5-7-17-8-6-15)10-9-18-12(14-10)1-3-13-4-2-12/h10,13-14H,1-9H2/t10-/m0/s1
InChIKeyKIXPNMQFMVTANU-JTQLQIEISA-N
MW287.45 g/mol
LogP0.35
Rot. Bonds1

About [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone

[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 169318471) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID169318471
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC Name[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C([C@@H]1CSC2(CCNCC2)N1)N1CCSCC1
InChIInChI=1S/C12H21N3OS2/c16-11(15-5-7-17-8-6-15)10-9-18-12(14-10)1-3-13-4-2-12/h10,13-14H,1-9H2/t10-/m0/s1
InChIKeyKIXPNMQFMVTANU-JTQLQIEISA-N
XLogP0.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone (CID 169318471) is [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone is O=C([C@@H]1CSC2(CCNCC2)N1)N1CCSCC1.
What is the InChIKey of [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is KIXPNMQFMVTANU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3OS2/c16-11(15-5-7-17-8-6-15)10-9-18-12(14-10)1-3-13-4-2-12/h10,13-14H,1-9H2/t10-/m0/s1.
What are the key properties of [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone?
[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 287.45 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 169318471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).