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

C13H19NO3S — CID 850003

IUPAC1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
SMILESCOc1cc(S(=O)(=O)N2CCCC2)c(C)cc1C
InChIInChI=1S/C13H19NO3S/c1-10-8-11(2)13(9-12(10)17-3)18(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyNUSYLIXKCGHFJT-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.10
Rot. Bonds3

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

1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine (PubChem CID 850003) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
PubChem CID850003
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
SMILESCOc1cc(S(=O)(=O)N2CCCC2)c(C)cc1C
InChIInChI=1S/C13H19NO3S/c1-10-8-11(2)13(9-12(10)17-3)18(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3
InChIKeyNUSYLIXKCGHFJT-UHFFFAOYSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
1-(4-Methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
CID 850045
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
1-[(4'-Methoxy-4-biphenylyl)sulfonyl]pyrrolidine
CID 852203
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1265276
1-(4-Methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 849957
1-[(4-Methoxy-2,3,5-trimethylphenyl)sulfonyl]pyrrolidine
CID 972180
1-(5-Ethoxy-2,4-dimethylphenyl)sulfonylpyrrolidine
CID 970153
(3R,4R)-1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-3,4-dimethylpyrrolidin-3-ol
CID 72885199

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine (CID 850003) is 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine is COc1cc(S(=O)(=O)N2CCCC2)c(C)cc1C.
What is the InChIKey of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine?
The InChIKey is NUSYLIXKCGHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-8-11(2)13(9-12(10)17-3)18(15,16)14-6-4-5-7-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine?
1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine has a molecular weight of 269.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 850003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).