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

C15H23NO3S — CID 1085521

IUPAC1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23NO3S/c1-11(2)13-10-15(14(19-4)9-12(13)3)20(17,18)16-7-5-6-8-16/h9-11H,5-8H2,1-4H3
InChIKeyFYHQUUAOAMFUJH-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.91
Rot. Bonds4

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

1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine (PubChem CID 1085521) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
PubChem CID1085521
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H23NO3S/c1-11(2)13-10-15(14(19-4)9-12(13)3)20(17,18)16-7-5-6-8-16/h9-11H,5-8H2,1-4H3
InChIKeyFYHQUUAOAMFUJH-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

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1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
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1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 2059852
1-(2,5-dichlorophenyl)-4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 1289983
(4R,5S)-7-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol
CID 135094819
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride
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1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
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CID 120709113

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine (CID 1085521) is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine is COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine?
The InChIKey is FYHQUUAOAMFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(2)13-10-15(14(19-4)9-12(13)3)20(17,18)16-7-5-6-8-16/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine?
1-(2-methoxy-4-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-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 1085521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).