2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine

C8H16N2O3S — CID 116633503

IUPAC2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\C(C)S(C)(=O)=O)N1CCOCC1
InChIInChI=1S/C8H16N2O3S/c1-7(14(2,11)12)8(9)10-3-5-13-6-4-10/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyXEFPACDBPYFDHV-CMDGGOBGSA-N
MW220.29 g/mol
LogP-0.27
Rot. Bonds2

About 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine

2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine (PubChem CID 116633503) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine.

Molecular Properties

Compound Name2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine
PubChem CID116633503
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\C(C)S(C)(=O)=O)N1CCOCC1
InChIInChI=1S/C8H16N2O3S/c1-7(14(2,11)12)8(9)10-3-5-13-6-4-10/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyXEFPACDBPYFDHV-CMDGGOBGSA-N
XLogP-0.27
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3,3-dimethyl-1-morpholin-4-ylbutan-1-imine
CID 116732462
bis(morpholine-4-carboximidamide);sulfate
CID 73010846
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117070
ethane;2-imino-1-morpholin-4-ylpropan-1-one
CID 171555875
Morpholine-4-carboselenoamide
CID 12008371
methyl morpholine-4-carboximidothioate
CID 8006837
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415
2-(2-morpholin-4-yl-2-oxoethyl)sulfonylpropanoic acid
CID 43186071
(E)-3-fluoro-1-morpholin-4-ylbut-2-en-1-imine
CID 146177470
1,3-dimorpholin-4-ylpropane-1,3-diimine
CID 123506612
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine?
The IUPAC name of 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine (CID 116633503) is 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine.
What is the SMILES notation for 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine?
The canonical SMILES for 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine is [H]/N=C(\C(C)S(C)(=O)=O)N1CCOCC1.
What is the InChIKey of 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine?
The InChIKey is XEFPACDBPYFDHV-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(14(2,11)12)8(9)10-3-5-13-6-4-10/h7,9H,3-6H2,1-2H3/b9-8+.
What are the key properties of 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine?
2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine has a molecular weight of 220.29 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-morpholin-4-ylpropan-1-imine is sourced from PubChem (CID 116633503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).