1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine

C14H21NO3S — CID 110728287

IUPAC1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-11(2)14-5-4-10-15(14)19(16,17)13-8-6-12(18-3)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyAZQWHNAJKNJSGO-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.50
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine

1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine (PubChem CID 110728287) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
PubChem CID110728287
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-11(2)14-5-4-10-15(14)19(16,17)13-8-6-12(18-3)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyAZQWHNAJKNJSGO-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine (CID 110728287) is 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine is COc1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The InChIKey is AZQWHNAJKNJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(2)14-5-4-10-15(14)19(16,17)13-8-6-12(18-3)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine?
1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine has a molecular weight of 283.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 110728287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).