4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine

C12H19N3O4S — CID 103538331

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)N2CC(OC)C(OC)C2)ccn1
InChIInChI=1S/C12H19N3O4S/c1-13-12-6-9(4-5-14-12)20(16,17)15-7-10(18-2)11(8-15)19-3/h4-6,10-11H,7-8H2,1-3H3,(H,13,14)
InChIKeyLQIQWTUSEHFRMD-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.16
Rot. Bonds5

About 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine

4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine (PubChem CID 103538331) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine
PubChem CID103538331
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)N2CC(OC)C(OC)C2)ccn1
InChIInChI=1S/C12H19N3O4S/c1-13-12-6-9(4-5-14-12)20(16,17)15-7-10(18-2)11(8-15)19-3/h4-6,10-11H,7-8H2,1-3H3,(H,13,14)
InChIKeyLQIQWTUSEHFRMD-UHFFFAOYSA-N
XLogP0.16
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 102964531
N-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 55044279
4-(1,3-dihydroisoindol-2-ylsulfonyl)-N-methylpyridin-2-amine
CID 62231059
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-N-methylpyridin-2-amine
CID 63162051
N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148755
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 113228639
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
2-amino-4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenol
CID 103530304
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 62143492
N-cyclobutyl-2-(methylamino)pyridine-4-sulfonamide
CID 62414070
[4-(3-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61226431

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine (CID 103538331) is 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine is CNc1cc(S(=O)(=O)N2CC(OC)C(OC)C2)ccn1.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
The InChIKey is LQIQWTUSEHFRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-13-12-6-9(4-5-14-12)20(16,17)15-7-10(18-2)11(8-15)19-3/h4-6,10-11H,7-8H2,1-3H3,(H,13,14).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine has a molecular weight of 301.37 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-N-methylpyridin-2-amine is sourced from PubChem (CID 103538331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).