(sulfinatoamino)cyclooctane

C8H16NO2S- — CID 57027137

IUPAC(sulfinatoamino)cyclooctane
SMILESO=S([O-])NC1CCCCCCC1
InChIInChI=1S/C8H17NO2S/c10-12(11)9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2,(H,10,11)/p-1
InChIKeyLFZMWXKOYFQLND-UHFFFAOYSA-M
MW190.29 g/mol
LogP1.48
Rot. Bonds2

About (sulfinatoamino)cyclooctane

(sulfinatoamino)cyclooctane (PubChem CID 57027137) has the molecular formula C8H16NO2S- and a molecular weight of 190.29 g/mol. Its IUPAC name is (sulfinatoamino)cyclooctane.

Molecular Properties

Compound Name(sulfinatoamino)cyclooctane
PubChem CID57027137
Molecular FormulaC8H16NO2S-
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name(sulfinatoamino)cyclooctane
SMILESO=S([O-])NC1CCCCCCC1
InChIInChI=1S/C8H17NO2S/c10-12(11)9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2,(H,10,11)/p-1
InChIKeyLFZMWXKOYFQLND-UHFFFAOYSA-M
XLogP1.48
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (sulfinatoamino)cyclooctane?
The IUPAC name of (sulfinatoamino)cyclooctane (CID 57027137) is (sulfinatoamino)cyclooctane.
What is the SMILES notation for (sulfinatoamino)cyclooctane?
The canonical SMILES for (sulfinatoamino)cyclooctane is O=S([O-])NC1CCCCCCC1.
What is the InChIKey of (sulfinatoamino)cyclooctane?
The InChIKey is LFZMWXKOYFQLND-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO2S/c10-12(11)9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2,(H,10,11)/p-1.
What are the key properties of (sulfinatoamino)cyclooctane?
(sulfinatoamino)cyclooctane has a molecular weight of 190.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinatoamino)cyclooctane is sourced from PubChem (CID 57027137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).