4-(sulfinatoamino)octane

C8H18NO2S- — CID 57283190

IUPAC4-(sulfinatoamino)octane
SMILESCCCCC(CCC)NS(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-3-5-7-8(6-4-2)9-12(10)11/h8-9H,3-7H2,1-2H3,(H,10,11)/p-1
InChIKeyUVYYNAYFBSMAON-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.73
Rot. Bonds7

About 4-(sulfinatoamino)octane

4-(sulfinatoamino)octane (PubChem CID 57283190) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(sulfinatoamino)octane.

Molecular Properties

Compound Name4-(sulfinatoamino)octane
PubChem CID57283190
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name4-(sulfinatoamino)octane
SMILESCCCCC(CCC)NS(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-3-5-7-8(6-4-2)9-12(10)11/h8-9H,3-7H2,1-2H3,(H,10,11)/p-1
InChIKeyUVYYNAYFBSMAON-UHFFFAOYSA-M
XLogP1.73
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(sulfinatoamino)octane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(sulfinatoamino)octane?
The IUPAC name of 4-(sulfinatoamino)octane (CID 57283190) is 4-(sulfinatoamino)octane.
What is the SMILES notation for 4-(sulfinatoamino)octane?
The canonical SMILES for 4-(sulfinatoamino)octane is CCCCC(CCC)NS(=O)[O-].
What is the InChIKey of 4-(sulfinatoamino)octane?
The InChIKey is UVYYNAYFBSMAON-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-3-5-7-8(6-4-2)9-12(10)11/h8-9H,3-7H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 4-(sulfinatoamino)octane?
4-(sulfinatoamino)octane has a molecular weight of 192.30 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfinatoamino)octane is sourced from PubChem (CID 57283190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).