3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C13H20ClN3O3S — CID 136574903

IUPAC3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCOCCN(C)c1ncc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-16(7-8-20-2)13-12(14)9-11(10-15-13)21(18,19)17-5-3-4-6-17/h9-10H,3-8H2,1-2H3
InChIKeyLUYTWAKRRDQXIU-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.60
Rot. Bonds6

About 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 136574903) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID136574903
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCOCCN(C)c1ncc(S(=O)(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-16(7-8-20-2)13-12(14)9-11(10-15-13)21(18,19)17-5-3-4-6-17/h9-10H,3-8H2,1-2H3
InChIKeyLUYTWAKRRDQXIU-UHFFFAOYSA-N
XLogP1.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 136574903) is 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is COCCN(C)c1ncc(S(=O)(=O)N2CCCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is LUYTWAKRRDQXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-16(7-8-20-2)13-12(14)9-11(10-15-13)21(18,19)17-5-3-4-6-17/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 333.84 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 136574903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).