1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane

C15H23NO3S — CID 110758344

IUPAC1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C15H23NO3S/c1-12-10-13(2)15(19-3)14(11-12)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyNLIHGRCSQBDCFD-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane

1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane (PubChem CID 110758344) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
PubChem CID110758344
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C15H23NO3S/c1-12-10-13(2)15(19-3)14(11-12)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyNLIHGRCSQBDCFD-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

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CID 110758314
1-(3-tert-butyl-2-methoxy-5-methylphenyl)sulfonylpyrrolidine
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1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998743
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-[4-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817376
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
(5-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 82166547
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane (CID 110758344) is 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane is COc1c(C)cc(C)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane?
The InChIKey is NLIHGRCSQBDCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-10-13(2)15(19-3)14(11-12)20(17,18)16-8-6-4-5-7-9-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane?
1-(2-methoxy-3,5-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-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane is sourced from PubChem (CID 110758344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).