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

C12H21N3O2S — CID 169318767

IUPACmorpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone
SMILESO=C([C@@H]1CSC2(CCNCC2)N1)N1CCOCC1
InChIInChI=1S/C12H21N3O2S/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
InChIKeyNKPXVFBLPGUUMB-JTQLQIEISA-N
MW271.39 g/mol
LogP-0.37
Rot. Bonds1

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

morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone (PubChem CID 169318767) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone
PubChem CID169318767
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Namemorpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone
SMILESO=C([C@@H]1CSC2(CCNCC2)N1)N1CCOCC1
InChIInChI=1S/C12H21N3O2S/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
InChIKeyNKPXVFBLPGUUMB-JTQLQIEISA-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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Related Compounds

((2S,4S)-4-morpholinopyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439326
3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383077
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919141
N-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-3-sulfanylpropanamide
CID 177680757
(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
CID 58677294
6-(2-Morpholin-4-yl-2-oxoethyl)thiomorpholine-3-carboxamide
CID 141027130
(4-methylpiperazin-1-yl)-[(3R)-1-thia-4,9-diazaspiro[4.5]decan-3-yl]methanone
CID 169318355
piperidin-1-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone
CID 169318383
(2S)-2-amino-3-hydroxy-1-[(3R)-3-(piperazine-1-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 169318437
(2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one
CID 169318444
[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]-thiomorpholin-4-ylmethanone
CID 169318471
(2S)-2-amino-3-methyl-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]butan-1-one
CID 169318496

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone (CID 169318767) is morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone is O=C([C@@H]1CSC2(CCNCC2)N1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone?
The InChIKey is NKPXVFBLPGUUMB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2S/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 morpholin-4-yl-[(3R)-1-thia-4,8-diazaspiro[4.5]decan-3-yl]methanone?
morpholin-4-yl-[(3R)-1-thia-4,8-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-4,8-diazaspiro[4.5]decan-3-yl]methanone is sourced from PubChem (CID 169318767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).