2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine

C17H24N2O3S — CID 44576423

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1
InChIInChI=1S/C17H24N2O3S/c1-14-5-7-16(8-6-14)23(20,21)19-10-11-22-17(13-19)15-4-3-9-18(2)12-15/h4-8,17H,3,9-13H2,1-2H3
InChIKeyBHNLBZUKHWTJKF-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.65
Rot. Bonds3

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

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine (PubChem CID 44576423) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine
PubChem CID44576423
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1
InChIInChI=1S/C17H24N2O3S/c1-14-5-7-16(8-6-14)23(20,21)19-10-11-22-17(13-19)15-4-3-9-18(2)12-15/h4-8,17H,3,9-13H2,1-2H3
InChIKeyBHNLBZUKHWTJKF-UHFFFAOYSA-N
XLogP1.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.65
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-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
(2R)-2-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 124999153
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 125009252
N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 124974810
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137166559
methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 171059500
(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine
CID 101366739
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine (CID 44576423) is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CCOC(C3=CCCN(C)C3)C2)cc1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine?
The InChIKey is BHNLBZUKHWTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14-5-7-16(8-6-14)23(20,21)19-10-11-22-17(13-19)15-4-3-9-18(2)12-15/h4-8,17H,3,9-13H2,1-2H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine?
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine has a molecular weight of 336.46 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 44576423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).