[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone

C15H26N2O2S — CID 120935607

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C15H26N2O2S/c1-12-13(16-7-9-19-12)14(18)17-8-10-20-15(11-17)5-3-2-4-6-15/h12-13,16H,2-11H2,1H3/t12-,13+/m1/s1
InChIKeyCCOSJEDRKUCYCB-OLZOCXBDSA-N
MW298.45 g/mol
LogP1.64
Rot. Bonds1

About [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone

[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone (PubChem CID 120935607) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
PubChem CID120935607
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCSC2(CCCCC2)C1
InChIInChI=1S/C15H26N2O2S/c1-12-13(16-7-9-19-12)14(18)17-8-10-20-15(11-17)5-3-2-4-6-15/h12-13,16H,2-11H2,1H3/t12-,13+/m1/s1
InChIKeyCCOSJEDRKUCYCB-OLZOCXBDSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone with MolForge

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120932229
6-azaspiro[3.4]octan-6-yl-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120933189
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-2-one
CID 120918415
(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120934209
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone (CID 120935607) is [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCSC2(CCCCC2)C1.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is CCOSJEDRKUCYCB-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-12-13(16-7-9-19-12)14(18)17-8-10-20-15(11-17)5-3-2-4-6-15/h12-13,16H,2-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone?
[(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 298.45 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 120935607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).