3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine

C12H19N3O3S — CID 64581559

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
SMILESCNc1ccncc1S(=O)(=O)N1CCC(COC)C1
InChIInChI=1S/C12H19N3O3S/c1-13-11-3-5-14-7-12(11)19(16,17)15-6-4-10(8-15)9-18-2/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,13,14)
InChIKeyKPJGMTYXZOZIJT-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.78
Rot. Bonds5

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine

3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine (PubChem CID 64581559) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
PubChem CID64581559
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
SMILESCNc1ccncc1S(=O)(=O)N1CCC(COC)C1
InChIInChI=1S/C12H19N3O3S/c1-13-11-3-5-14-7-12(11)19(16,17)15-6-4-10(8-15)9-18-2/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,13,14)
InChIKeyKPJGMTYXZOZIJT-UHFFFAOYSA-N
XLogP0.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine (CID 64581559) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine is CNc1ccncc1S(=O)(=O)N1CCC(COC)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine?
The InChIKey is KPJGMTYXZOZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-13-11-3-5-14-7-12(11)19(16,17)15-6-4-10(8-15)9-18-2/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,13,14).
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine?
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine is sourced from PubChem (CID 64581559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).