1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine

C15H23NO3S — CID 1265276

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C(C)C
InChIInChI=1S/C15H23NO3S/c1-11(2)13-10-15(12(3)9-14(13)19-4)20(17,18)16-7-5-6-8-16/h9-11H,5-8H2,1-4H3
InChIKeyDDNYPGGPXHKNBI-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine (PubChem CID 1265276) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
PubChem CID1265276
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C(C)C
InChIInChI=1S/C15H23NO3S/c1-11(2)13-10-15(12(3)9-14(13)19-4)20(17,18)16-7-5-6-8-16/h9-11H,5-8H2,1-4H3
InChIKeyDDNYPGGPXHKNBI-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.91
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
1-[1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627888
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
1-(4-Methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
CID 850045
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
Methyl 2,3,5-trimethyl-4-(4-morpholinylsulfonyl)phenyl ether
CID 1085560
4-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine (CID 1265276) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine is COc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine?
The InChIKey is DDNYPGGPXHKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(2)13-10-15(12(3)9-14(13)19-4)20(17,18)16-7-5-6-8-16/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine has a molecular weight of 297.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 1265276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).