N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C12H19N3O3S — CID 2524141

IUPACN-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCOCCNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C12H19N3O3S/c1-18-9-6-13-12-5-4-11(10-14-12)19(16,17)15-7-2-3-8-15/h4-5,10H,2-3,6-9H2,1H3,(H,13,14)
InChIKeyZXGQJSAKSWCZFQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.92
Rot. Bonds6

About N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 2524141) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID2524141
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCOCCNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C12H19N3O3S/c1-18-9-6-13-12-5-4-11(10-14-12)19(16,17)15-7-2-3-8-15/h4-5,10H,2-3,6-9H2,1H3,(H,13,14)
InChIKeyZXGQJSAKSWCZFQ-UHFFFAOYSA-N
XLogP0.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 2524141) is N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is COCCNc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is ZXGQJSAKSWCZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-9-6-13-12-5-4-11(10-14-12)19(16,17)15-7-2-3-8-15/h4-5,10H,2-3,6-9H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2524141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).