4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine

C16H21N3O2S — CID 118740276

IUPAC4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine
SMILESCS(=O)(=O)N1CCCC(Cc2ccnc3ccncc23)CC1
InChIInChI=1S/C16H21N3O2S/c1-22(20,21)19-9-2-3-13(6-10-19)11-14-4-8-18-16-5-7-17-12-15(14)16/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3
InChIKeyCNZJQNZFYYTXSH-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.23
Rot. Bonds3

About 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine

4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine (PubChem CID 118740276) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine.

Molecular Properties

Compound Name4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine
PubChem CID118740276
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine
SMILESCS(=O)(=O)N1CCCC(Cc2ccnc3ccncc23)CC1
InChIInChI=1S/C16H21N3O2S/c1-22(20,21)19-9-2-3-13(6-10-19)11-14-4-8-18-16-5-7-17-12-15(14)16/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3
InChIKeyCNZJQNZFYYTXSH-UHFFFAOYSA-N
XLogP2.23
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine?
The IUPAC name of 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine (CID 118740276) is 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine.
What is the SMILES notation for 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine?
The canonical SMILES for 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine is CS(=O)(=O)N1CCCC(Cc2ccnc3ccncc23)CC1.
What is the InChIKey of 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine?
The InChIKey is CNZJQNZFYYTXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-22(20,21)19-9-2-3-13(6-10-19)11-14-4-8-18-16-5-7-17-12-15(14)16/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3.
What are the key properties of 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine?
4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine has a molecular weight of 319.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylazepan-4-yl)methyl]-1,6-naphthyridine is sourced from PubChem (CID 118740276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).