1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine

C14H21NO3S — CID 850044

IUPAC1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C
InChIInChI=1S/C14H21NO3S/c1-4-18-13-9-12(3)14(10-11(13)2)19(16,17)15-7-5-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyNPKJIWLYEODFPX-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.49
Rot. Bonds4

About 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine

1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine (PubChem CID 850044) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
PubChem CID850044
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C
InChIInChI=1S/C14H21NO3S/c1-4-18-13-9-12(3)14(10-11(13)2)19(16,17)15-7-5-6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyNPKJIWLYEODFPX-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
1-(4-Methoxynaphthalen-1-yl)sulfonylpyrrolidine
CID 6471744
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-(4-Methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
CID 850045
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-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895
1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1265276
4-(4-Methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 801472

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine (CID 850044) is 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine is CCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C.
What is the InChIKey of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine?
The InChIKey is NPKJIWLYEODFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-18-13-9-12(3)14(10-11(13)2)19(16,17)15-7-5-6-8-15/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine?
1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine has a molecular weight of 283.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 850044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).