azane;pentoxybenzene;sulfuric acid

C11H24N2O5S — CID 173020031

IUPACazane;pentoxybenzene;sulfuric acid
SMILESCCCCCOc1ccccc1.N.N.O=S(=O)(O)O
InChIInChI=1S/C11H16O.2H3N.H2O4S/c1-2-3-7-10-12-11-8-5-4-6-9-11;;;1-5(2,3)4/h4-6,8-9H,2-3,7,10H2,1H3;2*1H3;(H2,1,2,3,4)
InChIKeyQTBVCRQYPXJIPU-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.93
Rot. Bonds5

About azane;pentoxybenzene;sulfuric acid

azane;pentoxybenzene;sulfuric acid (PubChem CID 173020031) has the molecular formula C11H24N2O5S and a molecular weight of 296.39 g/mol. Its IUPAC name is azane;pentoxybenzene;sulfuric acid.

Molecular Properties

Compound Nameazane;pentoxybenzene;sulfuric acid
PubChem CID173020031
Molecular FormulaC11H24N2O5S
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC Nameazane;pentoxybenzene;sulfuric acid
SMILESCCCCCOc1ccccc1.N.N.O=S(=O)(O)O
InChIInChI=1S/C11H16O.2H3N.H2O4S/c1-2-3-7-10-12-11-8-5-4-6-9-11;;;1-5(2,3)4/h4-6,8-9H,2-3,7,10H2,1H3;2*1H3;(H2,1,2,3,4)
InChIKeyQTBVCRQYPXJIPU-UHFFFAOYSA-N
XLogP2.93
TPSA153.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze azane;pentoxybenzene;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;dodecoxybenzene;oxirane;sulfuric acid
CID 174520551
pentoxybenzene;undecane
CID 174778179
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
acetic acid;butoxybenzene
CID 162338086
1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid;nonoxybenzene
CID 163663729
2-pentoxyethoxybenzene
CID 54431229
disodium;nonoxybenzene;oxirane;sulfate
CID 174533942
1-dodecoxy-1,4-dioxo-4-(3-phenoxypropoxy)butane-2-sulfonic acid
CID 150870435
4-(4-heptoxyphenoxy)butane-1-sulfonic acid
CID 58983762
azane;4-(4-pentoxyphenoxy)benzenesulfonic acid
CID 173280419

Frequently Asked Questions

What is the IUPAC name of azane;pentoxybenzene;sulfuric acid?
The IUPAC name of azane;pentoxybenzene;sulfuric acid (CID 173020031) is azane;pentoxybenzene;sulfuric acid.
What is the SMILES notation for azane;pentoxybenzene;sulfuric acid?
The canonical SMILES for azane;pentoxybenzene;sulfuric acid is CCCCCOc1ccccc1.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;pentoxybenzene;sulfuric acid?
The InChIKey is QTBVCRQYPXJIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.2H3N.H2O4S/c1-2-3-7-10-12-11-8-5-4-6-9-11;;;1-5(2,3)4/h4-6,8-9H,2-3,7,10H2,1H3;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;pentoxybenzene;sulfuric acid?
azane;pentoxybenzene;sulfuric acid has a molecular weight of 296.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pentoxybenzene;sulfuric acid is sourced from PubChem (CID 173020031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).