[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine

C13H20N2O3S — CID 124688201

IUPAC[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2CN)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-10-8-12(18-2)5-6-13(10)19(16,17)15-7-3-4-11(15)9-14/h5-6,8,11H,3-4,7,9,14H2,1-2H3/t11-/m1/s1
InChIKeyKZNMUZOYFZLOLP-LLVKDONJSA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds4

About [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine

[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 124688201) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
PubChem CID124688201
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2CN)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-10-8-12(18-2)5-6-13(10)19(16,17)15-7-3-4-11(15)9-14/h5-6,8,11H,3-4,7,9,14H2,1-2H3/t11-/m1/s1
InChIKeyKZNMUZOYFZLOLP-LLVKDONJSA-N
XLogP1.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2-bromo-5-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688419
(1R)-1-[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124688177
[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212272
[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711647
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764
[(2S)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285952
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine
CID 120874755
4-(4-methoxy-2-methylphenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 110314590
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-2-yl]methanol
CID 106996722
ethyl 3-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-4-methylbenzoate
CID 120711644
methyl 4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-3-methoxybenzoate
CID 120707972

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine (CID 124688201) is [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine is COc1ccc(S(=O)(=O)N2CCC[C@@H]2CN)c(C)c1.
What is the InChIKey of [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is KZNMUZOYFZLOLP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-12(18-2)5-6-13(10)19(16,17)15-7-3-4-11(15)9-14/h5-6,8,11H,3-4,7,9,14H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine?
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 124688201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).