4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine

C16H22N2O3S — CID 44576434

IUPAC4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
SMILESCN1CCC=C(C2CN(S(=O)(=O)c3ccccc3)CCO2)C1
InChIInChI=1S/C16H22N2O3S/c1-17-9-5-6-14(12-17)16-13-18(10-11-21-16)22(19,20)15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3
InChIKeyIMIRMOOXGWOXNG-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.34
Rot. Bonds3

About 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine

4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine (PubChem CID 44576434) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
PubChem CID44576434
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine
SMILESCN1CCC=C(C2CN(S(=O)(=O)c3ccccc3)CCO2)C1
InChIInChI=1S/C16H22N2O3S/c1-17-9-5-6-14(12-17)16-13-18(10-11-21-16)22(19,20)15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3
InChIKeyIMIRMOOXGWOXNG-UHFFFAOYSA-N
XLogP1.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
4-[1-(Benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 660754
4-(2-Chloro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-morpholine
CID 25014974
4-(4-Methyl-benzenesulfonyl)-2-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-morpholine
CID 44576423
4-(4-tert-Butyl-benzenesulfonyl)-2-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-morpholine
CID 44576424
4-(2,5-Dichloro-benzenesulfonyl)-2-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-morpholine
CID 44576433
1-(Benzenesulfonyl)-3-ethoxypiperidine
CID 42656424
1-Methyl-4-{[1-(phenylsulfonyl)-4-piperidinyl]oxy}piperidine
CID 91916313
(2S)-2-ethenyl-4-(4-methylphenyl)sulfonylmorpholine
CID 14967207
(2S)-2-[(E)-3-methylbut-1-enyl]-4-(4-methylphenyl)sulfonylmorpholine
CID 52921190
(2R)-2-[(E)-3-methylbut-1-enyl]-4-(4-methylphenyl)sulfonylmorpholine
CID 52921192
2-Methylidene-4-(4-methylphenyl)sulfonyl-6-prop-1-en-2-ylmorpholine
CID 135041488

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The IUPAC name of 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine (CID 44576434) is 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine is CN1CCC=C(C2CN(S(=O)(=O)c3ccccc3)CCO2)C1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
The InChIKey is IMIRMOOXGWOXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-17-9-5-6-14(12-17)16-13-18(10-11-21-16)22(19,20)15-7-3-2-4-8-15/h2-4,6-8,16H,5,9-13H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine?
4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine has a molecular weight of 322.43 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)morpholine is sourced from PubChem (CID 44576434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).