5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride

C19H24ClNO3S — CID 14097926

IUPAC5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride
SMILESCN(C)CCCCCOc1cccc2c1S(=O)(=O)c1ccccc1-2.Cl
InChIInChI=1S/C19H23NO3S.ClH/c1-20(2)13-6-3-7-14-23-17-11-8-10-16-15-9-4-5-12-18(15)24(21,22)19(16)17;/h4-5,8-12H,3,6-7,13-14H2,1-2H3;1H
InChIKeyQFGXYAFSYLWKOL-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.03
Rot. Bonds7

About 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride

5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride (PubChem CID 14097926) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride
PubChem CID14097926
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC Name5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride
SMILESCN(C)CCCCCOc1cccc2c1S(=O)(=O)c1ccccc1-2.Cl
InChIInChI=1S/C19H23NO3S.ClH/c1-20(2)13-6-3-7-14-23-17-11-8-10-16-15-9-4-5-12-18(15)24(21,22)19(16)17;/h4-5,8-12H,3,6-7,13-14H2,1-2H3;1H
InChIKeyQFGXYAFSYLWKOL-UHFFFAOYSA-N
XLogP4.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride?
The IUPAC name of 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride (CID 14097926) is 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride.
What is the SMILES notation for 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride?
The canonical SMILES for 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride is CN(C)CCCCCOc1cccc2c1S(=O)(=O)c1ccccc1-2.Cl.
What is the InChIKey of 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride?
The InChIKey is QFGXYAFSYLWKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S.ClH/c1-20(2)13-6-3-7-14-23-17-11-8-10-16-15-9-4-5-12-18(15)24(21,22)19(16)17;/h4-5,8-12H,3,6-7,13-14H2,1-2H3;1H.
What are the key properties of 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride?
5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dioxodibenzothiophen-4-yl)oxy-N,N-dimethylpentan-1-amine;hydrochloride is sourced from PubChem (CID 14097926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).