N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine

C17H21N3O3S — CID 5268018

IUPACN-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H21N3O3S/c1-19(14-15-5-3-2-4-6-15)17-8-7-16(13-18-17)24(21,22)20-9-11-23-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKeyOZBUWKIQERFUHP-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.74
Rot. Bonds5

About N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine

N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 5268018) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID5268018
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H21N3O3S/c1-19(14-15-5-3-2-4-6-15)17-8-7-16(13-18-17)24(21,22)20-9-11-23-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKeyOZBUWKIQERFUHP-UHFFFAOYSA-N
XLogP1.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 5268018) is N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine is CN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is OZBUWKIQERFUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-19(14-15-5-3-2-4-6-15)17-8-7-16(13-18-17)24(21,22)20-9-11-23-12-10-20/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 347.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).