azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol

C17H33NO6S — CID 175430159

IUPACazane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol
SMILESCCCCCCCCCc1cccc(O)c1.N.O=S(=O)(O)OCCO
InChIInChI=1S/C15H24O.C2H6O5S.H3N/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14;3-1-2-7-8(4,5)6;/h9,11-13,16H,2-8,10H2,1H3;3H,1-2H2,(H,4,5,6);1H3
InChIKeyHAZCSXDGFMVYDX-UHFFFAOYSA-N
MW379.52 g/mol
LogP3.65
Rot. Bonds11

About azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol

azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol (PubChem CID 175430159) has the molecular formula C17H33NO6S and a molecular weight of 379.52 g/mol. Its IUPAC name is azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol.

Molecular Properties

Compound Nameazane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol
PubChem CID175430159
Molecular FormulaC17H33NO6S
Molecular Weight379.52 g/mol
Exact Mass379.20
IUPAC Nameazane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol
SMILESCCCCCCCCCc1cccc(O)c1.N.O=S(=O)(O)OCCO
InChIInChI=1S/C15H24O.C2H6O5S.H3N/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14;3-1-2-7-8(4,5)6;/h9,11-13,16H,2-8,10H2,1H3;3H,1-2H2,(H,4,5,6);1H3
InChIKeyHAZCSXDGFMVYDX-UHFFFAOYSA-N
XLogP3.65
TPSA139.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol 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

3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-(4-hydroxybutyl)phenol
CID 19991537
3-nonacosylbenzenesulfonic acid
CID 101306363
3-henicosylbenzenesulfonic acid
CID 101306236
3-nonylbenzenesulfonic acid
CID 14941614
2-methyl-5-nonylphenol;3-nonylphenol
CID 19003711
2-(3-pentylphenyl)ethanol
CID 163236984
1,3-di(tetradecyl)benzene
CID 91053224
benzene-1,3-diol;4-dodecylphenol
CID 159325714
benzene-1,3-diol;4-nonylphenol
CID 159380657

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol?
The IUPAC name of azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol (CID 175430159) is azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol.
What is the SMILES notation for azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol?
The canonical SMILES for azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol is CCCCCCCCCc1cccc(O)c1.N.O=S(=O)(O)OCCO.
What is the InChIKey of azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol?
The InChIKey is HAZCSXDGFMVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C2H6O5S.H3N/c1-2-3-4-5-6-7-8-10-14-11-9-12-15(16)13-14;3-1-2-7-8(4,5)6;/h9,11-13,16H,2-8,10H2,1H3;3H,1-2H2,(H,4,5,6);1H3.
What are the key properties of azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol?
azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol has a molecular weight of 379.52 g/mol, XLogP of 3.65, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyethyl hydrogen sulfate;3-nonylphenol is sourced from PubChem (CID 175430159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).