4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine

C15H23NO4S — CID 2221971

IUPAC4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine
SMILESCCCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C15H23NO4S/c1-4-7-20-14-10-13(3)15(11-12(14)2)21(17,18)16-5-8-19-9-6-16/h10-11H,4-9H2,1-3H3
InChIKeyHTEBPJQJNCNVBW-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.11
Rot. Bonds5

About 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine

4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine (PubChem CID 2221971) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine
PubChem CID2221971
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine
SMILESCCCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C15H23NO4S/c1-4-7-20-14-10-13(3)15(11-12(14)2)21(17,18)16-5-8-19-9-6-16/h10-11H,4-9H2,1-3H3
InChIKeyHTEBPJQJNCNVBW-UHFFFAOYSA-N
XLogP2.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine 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

4-Methoxy-2,3,5-trimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 4914479
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 934725
2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 2147485
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 2224391

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine (CID 2221971) is 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine is CCCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C.
What is the InChIKey of 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine?
The InChIKey is HTEBPJQJNCNVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-7-20-14-10-13(3)15(11-12(14)2)21(17,18)16-5-8-19-9-6-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine?
4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine has a molecular weight of 313.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-4-propoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 2221971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).