3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine

C12H17NO3S — CID 117391565

IUPAC3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)cc1S(C)(=O)=O
InChIInChI=1S/C12H17NO3S/c1-16-11-4-3-9(10-5-6-13-8-10)7-12(11)17(2,14)15/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyMHCWCBOLYPNMQU-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.18
Rot. Bonds3

About 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine

3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine (PubChem CID 117391565) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
PubChem CID117391565
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)cc1S(C)(=O)=O
InChIInChI=1S/C12H17NO3S/c1-16-11-4-3-9(10-5-6-13-8-10)7-12(11)17(2,14)15/h3-4,7,10,13H,5-6,8H2,1-2H3
InChIKeyMHCWCBOLYPNMQU-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxy-5-methylsulfonylphenyl)pyrrolidine
CID 117468030
(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117435702
3-(2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117426853
4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
CID 117469507
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
2-(3-methoxy-4-methylsulfonylphenyl)pyrrolidine
CID 117391561
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine (CID 117391565) is 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine is COc1ccc(C2CCNC2)cc1S(C)(=O)=O.
What is the InChIKey of 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine?
The InChIKey is MHCWCBOLYPNMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-11-4-3-9(10-5-6-13-8-10)7-12(11)17(2,14)15/h3-4,7,10,13H,5-6,8H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine?
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine has a molecular weight of 255.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 117391565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).