1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine

C14H21NO3S — CID 110728257

IUPAC1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2C)c(C)c1
InChIInChI=1S/C14H21NO3S/c1-10-8-13(18-4)9-11(2)14(10)19(16,17)15-7-5-6-12(15)3/h8-9,12H,5-7H2,1-4H3
InChIKeyKGTHSSJOGDTMEE-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine

1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine (PubChem CID 110728257) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
PubChem CID110728257
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2C)c(C)c1
InChIInChI=1S/C14H21NO3S/c1-10-8-13(18-4)9-11(2)14(10)19(16,17)15-7-5-6-12(15)3/h8-9,12H,5-7H2,1-4H3
InChIKeyKGTHSSJOGDTMEE-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285973
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylazepane
CID 107327191
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871730
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
CID 64979833
(E)-3-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]prop-2-enoic acid
CID 66754987
(3aS,6aS)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43597671
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463
1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708600
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
1,4-bis[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]butan-1-one
CID 68644209

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine (CID 110728257) is 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine is COc1cc(C)c(S(=O)(=O)N2CCCC2C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine?
The InChIKey is KGTHSSJOGDTMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-8-13(18-4)9-11(2)14(10)19(16,17)15-7-5-6-12(15)3/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine?
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine has a molecular weight of 283.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine is sourced from PubChem (CID 110728257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).