(sulfinatoamino)methylcyclohexane

C7H14NO2S- — CID 66859359

IUPAC(sulfinatoamino)methylcyclohexane
SMILESO=S([O-])NCC1CCCCC1
InChIInChI=1S/C7H15NO2S/c9-11(10)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10)/p-1
InChIKeyOQBVGXWTTKDZKG-UHFFFAOYSA-M
MW176.26 g/mol
LogP0.95
Rot. Bonds3

About (sulfinatoamino)methylcyclohexane

(sulfinatoamino)methylcyclohexane (PubChem CID 66859359) has the molecular formula C7H14NO2S- and a molecular weight of 176.26 g/mol. Its IUPAC name is (sulfinatoamino)methylcyclohexane.

Molecular Properties

Compound Name(sulfinatoamino)methylcyclohexane
PubChem CID66859359
Molecular FormulaC7H14NO2S-
Molecular Weight176.26 g/mol
Exact Mass176.08
IUPAC Name(sulfinatoamino)methylcyclohexane
SMILESO=S([O-])NCC1CCCCC1
InChIInChI=1S/C7H15NO2S/c9-11(10)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10)/p-1
InChIKeyOQBVGXWTTKDZKG-UHFFFAOYSA-M
XLogP0.95
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (sulfinatoamino)methylcyclohexane 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 (sulfinatoamino)methylcyclohexane?
The IUPAC name of (sulfinatoamino)methylcyclohexane (CID 66859359) is (sulfinatoamino)methylcyclohexane.
What is the SMILES notation for (sulfinatoamino)methylcyclohexane?
The canonical SMILES for (sulfinatoamino)methylcyclohexane is O=S([O-])NCC1CCCCC1.
What is the InChIKey of (sulfinatoamino)methylcyclohexane?
The InChIKey is OQBVGXWTTKDZKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO2S/c9-11(10)8-6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,9,10)/p-1.
What are the key properties of (sulfinatoamino)methylcyclohexane?
(sulfinatoamino)methylcyclohexane has a molecular weight of 176.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinatoamino)methylcyclohexane is sourced from PubChem (CID 66859359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).