potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide

C12H18KN3O2S — CID 59934616

IUPACpotassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide
SMILESCCCN(C)CCS(=O)Oc1ccc(N=[N-])cc1.[K+]
InChIInChI=1S/C12H18N3O2S.K/c1-3-8-15(2)9-10-18(16)17-12-6-4-11(14-13)5-7-12;/h4-7H,3,8-10H2,1-2H3;/q-1;+1
InChIKeyBZRJESVQKHISNH-UHFFFAOYSA-N
MW307.46 g/mol
LogP-0.27
Rot. Bonds8

About potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide

potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide (PubChem CID 59934616) has the molecular formula C12H18KN3O2S and a molecular weight of 307.46 g/mol. Its IUPAC name is potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide.

Molecular Properties

Compound Namepotassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide
PubChem CID59934616
Molecular FormulaC12H18KN3O2S
Molecular Weight307.46 g/mol
Exact Mass307.08
IUPAC Namepotassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide
SMILESCCCN(C)CCS(=O)Oc1ccc(N=[N-])cc1.[K+]
InChIInChI=1S/C12H18N3O2S.K/c1-3-8-15(2)9-10-18(16)17-12-6-4-11(14-13)5-7-12;/h4-7H,3,8-10H2,1-2H3;/q-1;+1
InChIKeyBZRJESVQKHISNH-UHFFFAOYSA-N
XLogP-0.27
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(Pyrrolidin-1-yldiazenyl)phenyl] trifluoromethanesulfonate
CID 11151445
[4-(Dimethylamino)phenyl] 2,2,2-trifluoroethanesulfonate
CID 160301375
N-(4-hydroxyphenyl)-N-methylbutane-1-sulfonamide
CID 14848926
N-butyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide
CID 18515529
N-(4-hydroxyphenyl)-N-methylhexane-1-sulfonamide
CID 18515565
N-ethyl-N-(4-hydroxyphenyl)butane-1-sulfonamide
CID 18515566
N-ethyl-N-(4-hydroxyphenyl)hexane-1-sulfonamide
CID 18515612
(4-aminophenyl) N,N-dibutylsulfamate
CID 20470599
(4-aminophenyl) N,N-diethylsulfamate
CID 20470617
4-Aminophenyl ethanesulfonate
CID 20474894
(4-Aminophenyl) butane-1-sulfonate
CID 20474905
N-ethyl-N-(4-hydroxyphenyl)ethanesulfonamide
CID 22346046

Frequently Asked Questions

What is the IUPAC name of potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide?
The IUPAC name of potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide (CID 59934616) is potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide.
What is the SMILES notation for potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide?
The canonical SMILES for potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide is CCCN(C)CCS(=O)Oc1ccc(N=[N-])cc1.[K+].
What is the InChIKey of potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide?
The InChIKey is BZRJESVQKHISNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N3O2S.K/c1-3-8-15(2)9-10-18(16)17-12-6-4-11(14-13)5-7-12;/h4-7H,3,8-10H2,1-2H3;/q-1;+1.
What are the key properties of potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide?
potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide has a molecular weight of 307.46 g/mol, XLogP of -0.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-[2-[methyl(propyl)amino]ethylsulfinyloxy]phenyl]iminoazanide is sourced from PubChem (CID 59934616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).