[4-[2-(ethylamino)ethylamino]phenyl] sulfite

C10H15N2O3S- — CID 91087325

IUPAC[4-[2-(ethylamino)ethylamino]phenyl] sulfite
SMILESCCNCCNc1ccc(OS(=O)[O-])cc1
InChIInChI=1S/C10H16N2O3S/c1-2-11-7-8-12-9-3-5-10(6-4-9)15-16(13)14/h3-6,11-12H,2,7-8H2,1H3,(H,13,14)/p-1
InChIKeyQIPOYDOAZXMIDB-UHFFFAOYSA-M
MW243.31 g/mol
LogP0.88
Rot. Bonds7

About [4-[2-(ethylamino)ethylamino]phenyl] sulfite

[4-[2-(ethylamino)ethylamino]phenyl] sulfite (PubChem CID 91087325) has the molecular formula C10H15N2O3S- and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-[2-(ethylamino)ethylamino]phenyl] sulfite.

Molecular Properties

Compound Name[4-[2-(ethylamino)ethylamino]phenyl] sulfite
PubChem CID91087325
Molecular FormulaC10H15N2O3S-
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name[4-[2-(ethylamino)ethylamino]phenyl] sulfite
SMILESCCNCCNc1ccc(OS(=O)[O-])cc1
InChIInChI=1S/C10H16N2O3S/c1-2-11-7-8-12-9-3-5-10(6-4-9)15-16(13)14/h3-6,11-12H,2,7-8H2,1H3,(H,13,14)/p-1
InChIKeyQIPOYDOAZXMIDB-UHFFFAOYSA-M
XLogP0.88
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N'-(4-ethoxyphenyl)-N-propylethane-1,2-diamine
CID 54805794
4-[2-(ethylamino)ethylamino]-2-methylbenzamide
CID 81279586
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
N'-(3-chloro-4-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 115205584
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551

Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethylamino)ethylamino]phenyl] sulfite?
The IUPAC name of [4-[2-(ethylamino)ethylamino]phenyl] sulfite (CID 91087325) is [4-[2-(ethylamino)ethylamino]phenyl] sulfite.
What is the SMILES notation for [4-[2-(ethylamino)ethylamino]phenyl] sulfite?
The canonical SMILES for [4-[2-(ethylamino)ethylamino]phenyl] sulfite is CCNCCNc1ccc(OS(=O)[O-])cc1.
What is the InChIKey of [4-[2-(ethylamino)ethylamino]phenyl] sulfite?
The InChIKey is QIPOYDOAZXMIDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N2O3S/c1-2-11-7-8-12-9-3-5-10(6-4-9)15-16(13)14/h3-6,11-12H,2,7-8H2,1H3,(H,13,14)/p-1.
What are the key properties of [4-[2-(ethylamino)ethylamino]phenyl] sulfite?
[4-[2-(ethylamino)ethylamino]phenyl] sulfite has a molecular weight of 243.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylamino)ethylamino]phenyl] sulfite is sourced from PubChem (CID 91087325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).