1-(6-methoxynaphthalen-2-yl)sulfonylazepane

C17H21NO3S — CID 839419

IUPAC1-(6-methoxynaphthalen-2-yl)sulfonylazepane
SMILESCOc1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc2c1
InChIInChI=1S/C17H21NO3S/c1-21-16-8-6-15-13-17(9-7-14(15)12-16)22(19,20)18-10-4-2-3-5-11-18/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyZKMGMYCXKKPOPI-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.41
Rot. Bonds3

About 1-(6-methoxynaphthalen-2-yl)sulfonylazepane

1-(6-methoxynaphthalen-2-yl)sulfonylazepane (PubChem CID 839419) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)sulfonylazepane.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)sulfonylazepane
PubChem CID839419
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name1-(6-methoxynaphthalen-2-yl)sulfonylazepane
SMILESCOc1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc2c1
InChIInChI=1S/C17H21NO3S/c1-21-16-8-6-15-13-17(9-7-14(15)12-16)22(19,20)18-10-4-2-3-5-11-18/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyZKMGMYCXKKPOPI-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethoxynaphthalen-1-yl)sulfonylazepane
CID 776924
1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
1-(6-Methoxy-naphthalene-2-sulfonyl)-pyrrolidine
CID 1085520
1-(4-Methoxynaphthalen-1-yl)sulfonylpyrrolidine
CID 6471744
1-(2-Methoxy-4-methylphenyl)sulfonylazepane
CID 567073
1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
4-[(6-Ethoxy-2-naphthyl)sulfonyl]morpholine
CID 786092
1,1'-[(2-Methoxy-1,6-naphthalenediyl)disulfonyl]dipiperidine
CID 1242000
1-[(4'-Methoxy-4-biphenylyl)sulfonyl]pyrrolidine
CID 852203
1-(6-Methoxy-naphthalene-2-sulfonyl)-3-methyl-piperidine
CID 2897720
6-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 2280707
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylnaphthalene-2-sulfonamide
CID 8471916

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonylazepane?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)sulfonylazepane (CID 839419) is 1-(6-methoxynaphthalen-2-yl)sulfonylazepane.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)sulfonylazepane?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)sulfonylazepane is COc1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)sulfonylazepane?
The InChIKey is ZKMGMYCXKKPOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-21-16-8-6-15-13-17(9-7-14(15)12-16)22(19,20)18-10-4-2-3-5-11-18/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)sulfonylazepane?
1-(6-methoxynaphthalen-2-yl)sulfonylazepane has a molecular weight of 319.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)sulfonylazepane is sourced from PubChem (CID 839419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).