2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine

C10H20N2OS — CID 79171179

IUPAC2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine
SMILESCN1CCOC(CSCC2CNC2)C1
InChIInChI=1S/C10H20N2OS/c1-12-2-3-13-10(6-12)8-14-7-9-4-11-5-9/h9-11H,2-8H2,1H3
InChIKeyMESKJENBWZNCNP-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.27
Rot. Bonds4

About 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine

2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine (PubChem CID 79171179) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine
PubChem CID79171179
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine
SMILESCN1CCOC(CSCC2CNC2)C1
InChIInChI=1S/C10H20N2OS/c1-12-2-3-13-10(6-12)8-14-7-9-4-11-5-9/h9-11H,2-8H2,1H3
InChIKeyMESKJENBWZNCNP-UHFFFAOYSA-N
XLogP0.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
CID 66290127
(4-methylmorpholin-2-yl)methyl thiocyanate
CID 155418362
3-[(4-methylmorpholin-2-yl)methylsulfanyl]propan-1-ol
CID 79182447
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
(2S)-2-amino-3-[(4-methylmorpholin-2-yl)methylsulfanyl]propanoic acid
CID 107773505
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
2-(4-methylmorpholin-2-yl)ethanamine
CID 19961939
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-4-methylmorpholine
CID 79182793
N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627762
O-[(4-methylmorpholin-2-yl)methyl]hydroxylamine
CID 79427912
[(2R)-4-methylmorpholin-2-yl]methoxyphosphane
CID 143396445

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine (CID 79171179) is 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine is CN1CCOC(CSCC2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine?
The InChIKey is MESKJENBWZNCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-12-2-3-13-10(6-12)8-14-7-9-4-11-5-9/h9-11H,2-8H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine?
2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine has a molecular weight of 216.35 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanylmethyl)-4-methylmorpholine is sourced from PubChem (CID 79171179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).