2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine

C18H22N2O3S — CID 45246175

IUPAC2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine
SMILESO=S(=O)(c1cccnc1)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C18H22N2O3S/c21-24(22,18-10-5-11-19-14-18)20-12-13-23-17(15-20)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,10-11,14,17H,4,8-9,12-13,15H2
InChIKeyQNWPYLLOWVAUOT-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.49
Rot. Bonds6

About 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine

2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine (PubChem CID 45246175) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine.

Molecular Properties

Compound Name2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine
PubChem CID45246175
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine
SMILESO=S(=O)(c1cccnc1)N1CCOC(CCCc2ccccc2)C1
InChIInChI=1S/C18H22N2O3S/c21-24(22,18-10-5-11-19-14-18)20-12-13-23-17(15-20)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,10-11,14,17H,4,8-9,12-13,15H2
InChIKeyQNWPYLLOWVAUOT-UHFFFAOYSA-N
XLogP2.49
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-6-morpholino-3-pyridinesulfonamide
CID 2738750
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
CID 3155736
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
4-[[6-[(4-Tert-butylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 7774872
4-methyl-N-(2-morpholino-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 16189359
4-[6-[(4-Propan-2-ylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylmorpholine
CID 7570114
3-(Morpholinosulfonyl)pyridine
CID 4276436
N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268018
4-[[6-[(4-Methylphenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 7774857
2-(2-Phenylethyl)-4-(4-pyridinylmethyl)morpholine
CID 45235844
1-Phenyl-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanol
CID 45814153
4-fluoro-N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 53541368

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine?
The IUPAC name of 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine (CID 45246175) is 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine.
What is the SMILES notation for 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine?
The canonical SMILES for 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine is O=S(=O)(c1cccnc1)N1CCOC(CCCc2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine?
The InChIKey is QNWPYLLOWVAUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-24(22,18-10-5-11-19-14-18)20-12-13-23-17(15-20)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,10-11,14,17H,4,8-9,12-13,15H2.
What are the key properties of 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine?
2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine has a molecular weight of 346.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-4-pyridin-3-ylsulfonylmorpholine is sourced from PubChem (CID 45246175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).