1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine

C14H21NO3S — CID 850045

IUPAC1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)C
InChIInChI=1S/C14H21NO3S/c1-11(2)13-10-12(6-7-14(13)18-3)19(16,17)15-8-4-5-9-15/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyHWNUOEUJZAQTCJ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine

1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine (PubChem CID 850045) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
PubChem CID850045
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)C
InChIInChI=1S/C14H21NO3S/c1-11(2)13-10-12(6-7-14(13)18-3)19(16,17)15-8-4-5-9-15/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyHWNUOEUJZAQTCJ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine (CID 850045) is 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine is COc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine?
The InChIKey is HWNUOEUJZAQTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(2)13-10-12(6-7-14(13)18-3)19(16,17)15-8-4-5-9-15/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine?
1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine has a molecular weight of 283.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 850045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).