CID 174882897

C8H18N3O2S- — CID 174882897

IUPAC—
SMILESCCCCCCCC.[N-]=[N+]=NS(=O)[O-]
InChIInChI=1S/C8H18.HN3O2S/c1-3-5-7-8-6-4-2;1-2-3-6(4)5/h3-8H2,1-2H3;(H,4,5)/p-1
InChIKeySONAHGWJPDWVRV-UHFFFAOYSA-M
MW220.32 g/mol
LogP3.46
Rot. Bonds6

About CID 174882897

CID 174882897 (PubChem CID 174882897) has the molecular formula C8H18N3O2S- and a molecular weight of 220.32 g/mol.

Molecular Properties

Compound NameCID 174882897
PubChem CID174882897
Molecular FormulaC8H18N3O2S-
Molecular Weight220.32 g/mol
Exact Mass220.11
IUPAC Name—
SMILESCCCCCCCC.[N-]=[N+]=NS(=O)[O-]
InChIInChI=1S/C8H18.HN3O2S/c1-3-5-7-8-6-4-2;1-2-3-6(4)5/h3-8H2,1-2H3;(H,4,5)/p-1
InChIKeySONAHGWJPDWVRV-UHFFFAOYSA-M
XLogP3.46
TPSA88.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azidododecane-1-sulfinate
CID 174505372
lithium;octane;sulfite
CID 122668940
1-azidododecane-1-sulfinic acid
CID 174505373
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
silver dodecane-1-sulfinate
CID 86740193
1-azidooctane;hydrochloride
CID 175871639
lithium octadecane-1-sulfinate
CID 23714371
sodium nonane-1-sulfinate
CID 86740195
hydrogen sulfite;trimethyl(octyl)phosphanium
CID 173242970
N-diazononane-1-sulfonamide
CID 21453350
disodium;decane;selenite
CID 174911287

Frequently Asked Questions

What is the IUPAC name of CID 174882897?
The IUPAC name of CID 174882897 (CID 174882897) is not available.
What is the SMILES notation for CID 174882897?
The canonical SMILES for CID 174882897 is CCCCCCCC.[N-]=[N+]=NS(=O)[O-].
What is the InChIKey of CID 174882897?
The InChIKey is SONAHGWJPDWVRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18.HN3O2S/c1-3-5-7-8-6-4-2;1-2-3-6(4)5/h3-8H2,1-2H3;(H,4,5)/p-1.
What are the key properties of CID 174882897?
CID 174882897 has a molecular weight of 220.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174882897 is sourced from PubChem (CID 174882897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).