2-(sulfinatoamino)hexane

C6H14NO2S- — CID 57174932

IUPAC2-(sulfinatoamino)hexane
SMILESCCCCC(C)NS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-4-5-6(2)7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyWCRXGRUXBQHKDF-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.95
Rot. Bonds5

About 2-(sulfinatoamino)hexane

2-(sulfinatoamino)hexane (PubChem CID 57174932) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(sulfinatoamino)hexane.

Molecular Properties

Compound Name2-(sulfinatoamino)hexane
PubChem CID57174932
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name2-(sulfinatoamino)hexane
SMILESCCCCC(C)NS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-4-5-6(2)7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyWCRXGRUXBQHKDF-UHFFFAOYSA-M
XLogP0.95
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.95
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 2-(sulfinatoamino)hexane?
The IUPAC name of 2-(sulfinatoamino)hexane (CID 57174932) is 2-(sulfinatoamino)hexane.
What is the SMILES notation for 2-(sulfinatoamino)hexane?
The canonical SMILES for 2-(sulfinatoamino)hexane is CCCCC(C)NS(=O)[O-].
What is the InChIKey of 2-(sulfinatoamino)hexane?
The InChIKey is WCRXGRUXBQHKDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-3-4-5-6(2)7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 2-(sulfinatoamino)hexane?
2-(sulfinatoamino)hexane has a molecular weight of 164.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)hexane is sourced from PubChem (CID 57174932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).