3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine

C12H17NO3S — CID 108781063

IUPAC3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOC1CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C12H17NO3S/c1-10-3-5-12(6-4-10)17(14,15)13-8-7-11(9-13)16-2/h3-6,11H,7-9H2,1-2H3
InChIKeyYSEYUEFBUAFDIY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.40
Rot. Bonds3

About 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine

3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 108781063) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID108781063
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOC1CCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C12H17NO3S/c1-10-3-5-12(6-4-10)17(14,15)13-8-7-11(9-13)16-2/h3-6,11H,7-9H2,1-2H3
InChIKeyYSEYUEFBUAFDIY-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
CID 103541412
1-[4-(3-chloropropoxy)phenyl]sulfonyl-3-methoxypyrrolidine
CID 103541193
2-methoxy-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531339
N-[[4-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103535331
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
[5-(3-methoxypyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 103535101

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine (CID 108781063) is 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine is COC1CCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is YSEYUEFBUAFDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-3-5-12(6-4-10)17(14,15)13-8-7-11(9-13)16-2/h3-6,11H,7-9H2,1-2H3.
What are the key properties of 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 255.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 108781063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).