4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine

C15H23NO3S — CID 73053508

IUPAC4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine
SMILESCc1ccc(CS(=O)(=O)CCCN2CCOCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-14-3-5-15(6-4-14)13-20(17,18)12-2-7-16-8-10-19-11-9-16/h3-6H,2,7-13H2,1H3
InChIKeyBTVVMXRIPSSUFC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.63
Rot. Bonds6

About 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine

4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine (PubChem CID 73053508) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine
PubChem CID73053508
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine
SMILESCc1ccc(CS(=O)(=O)CCCN2CCOCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-14-3-5-15(6-4-14)13-20(17,18)12-2-7-16-8-10-19-11-9-16/h3-6H,2,7-13H2,1H3
InChIKeyBTVVMXRIPSSUFC-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-benzylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065206
4-[3-(4-methylpyridin-1-ium-1-yl)propyl]morpholine bromide
CID 139661024
2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 2987188
CID 5478391
CID 5478391
2-(3-benzylsulfonylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187965
N-methyl-N-(3-methylphenyl)-3-morpholin-4-ylpropane-1-sulfonamide
CID 122142959
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
2-(3-benzylsulfonylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187964
3-(2-morpholin-4-ylethylsulfonylmethyl)benzonitrile
CID 82178628
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
4-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]morpholine
CID 139839803

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine?
The IUPAC name of 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine (CID 73053508) is 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine?
The canonical SMILES for 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine is Cc1ccc(CS(=O)(=O)CCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine?
The InChIKey is BTVVMXRIPSSUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-14-3-5-15(6-4-14)13-20(17,18)12-2-7-16-8-10-19-11-9-16/h3-6H,2,7-13H2,1H3.
What are the key properties of 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine?
4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine has a molecular weight of 297.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methylphenyl)methylsulfonyl]propyl]morpholine is sourced from PubChem (CID 73053508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).