2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine

C20H25NO3S — CID 110326607

IUPAC2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)CCCc3ccccc3)CCO2)cc1
InChIInChI=1S/C20H25NO3S/c1-17-9-11-19(12-10-17)20-16-21(13-14-24-20)25(22,23)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3
InChIKeyJGJSMTWUSQDRFC-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine

2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine (PubChem CID 110326607) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
PubChem CID110326607
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)CCCc3ccccc3)CCO2)cc1
InChIInChI=1S/C20H25NO3S/c1-17-9-11-19(12-10-17)20-16-21(13-14-24-20)25(22,23)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3
InChIKeyJGJSMTWUSQDRFC-UHFFFAOYSA-N
XLogP3.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110364078
2-(4-fluorophenyl)-4-(3-phenylpropylsulfonyl)morpholine
CID 110326810
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912
2-(3,5-dichlorophenyl)-4-(2-phenylethylsulfonyl)morpholine
CID 121134610
4-benzylsulfonyl-2-(4-bromophenyl)morpholine
CID 47958795
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
N,N-dimethyl-2-(4-methylphenyl)morpholine-4-sulfonamide
CID 110326565
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
5,5-dimethyl-2-phenyl-4-(3-phenylpropylsulfonyl)morpholine
CID 110327404
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The IUPAC name of 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine (CID 110326607) is 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine.
What is the SMILES notation for 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The canonical SMILES for 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine is Cc1ccc(C2CN(S(=O)(=O)CCCc3ccccc3)CCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine?
The InChIKey is JGJSMTWUSQDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-17-9-11-19(12-10-17)20-16-21(13-14-24-20)25(22,23)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine?
2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine has a molecular weight of 359.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(3-phenylpropylsulfonyl)morpholine is sourced from PubChem (CID 110326607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).