morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone

C12H21N3O2S — CID 169318771

IUPACmorpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone
SMILESO=C([C@@H]1CSC2(CCCNC2)N1)N1CCOCC1
InChIInChI=1S/C12H21N3O2S/c16-11(15-4-6-17-7-5-15)10-8-18-12(14-10)2-1-3-13-9-12/h10,13-14H,1-9H2/t10-,12?/m0/s1
InChIKeySRBCENUVBTZWEK-NUHJPDEHSA-N
MW271.39 g/mol
LogP-0.37
Rot. Bonds1

About morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone

morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone (PubChem CID 169318771) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone
PubChem CID169318771
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Namemorpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone
SMILESO=C([C@@H]1CSC2(CCCNC2)N1)N1CCOCC1
InChIInChI=1S/C12H21N3O2S/c16-11(15-4-6-17-7-5-15)10-8-18-12(14-10)2-1-3-13-9-12/h10,13-14H,1-9H2/t10-,12?/m0/s1
InChIKeySRBCENUVBTZWEK-NUHJPDEHSA-N
XLogP-0.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone (CID 169318771) is morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone is O=C([C@@H]1CSC2(CCCNC2)N1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone?
The InChIKey is SRBCENUVBTZWEK-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H21N3O2S/c16-11(15-4-6-17-7-5-15)10-8-18-12(14-10)2-1-3-13-9-12/h10,13-14H,1-9H2/t10-,12?/m0/s1.
What are the key properties of morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone?
morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone has a molecular weight of 271.39 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone is sourced from PubChem (CID 169318771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).