1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane

C15H23NO3S — CID 47173260

IUPAC1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCCC2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-12-10-14(19-3)11-13(2)15(12)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyFSGHUNKLORYANW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane

1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane (PubChem CID 47173260) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane.

Molecular Properties

Compound Name1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
PubChem CID47173260
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCCC2)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-12-10-14(19-3)11-13(2)15(12)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyFSGHUNKLORYANW-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708600
1-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978472
1-(cyclopropylmethyl)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708727
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191
[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
CID 107327752
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81209194
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylidenepyrrolidine
CID 89331710
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
3-(dimethylamino)-1-[4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110603406
1-(3-bromo-2,4,6-trimethylphenyl)sulfonylazepane
CID 91670160

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane?
The IUPAC name of 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane (CID 47173260) is 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane.
What is the SMILES notation for 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane?
The canonical SMILES for 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane is COc1cc(C)c(S(=O)(=O)N2CCCCCC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane?
The InChIKey is FSGHUNKLORYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-10-14(19-3)11-13(2)15(12)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane?
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane has a molecular weight of 297.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane is sourced from PubChem (CID 47173260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).