3-(sulfinatoamino)hexane

C6H14NO2S- — CID 57291750

IUPAC3-(sulfinatoamino)hexane
SMILESCCCC(CC)NS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-5-6(4-2)7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyKYFKPJDHEGKEKQ-UHFFFAOYSA-M
MW164.25 g/mol
LogP0.95
Rot. Bonds5

About 3-(sulfinatoamino)hexane

3-(sulfinatoamino)hexane (PubChem CID 57291750) has the molecular formula C6H14NO2S- and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-(sulfinatoamino)hexane.

Molecular Properties

Compound Name3-(sulfinatoamino)hexane
PubChem CID57291750
Molecular FormulaC6H14NO2S-
Molecular Weight164.25 g/mol
Exact Mass164.08
IUPAC Name3-(sulfinatoamino)hexane
SMILESCCCC(CC)NS(=O)[O-]
InChIInChI=1S/C6H15NO2S/c1-3-5-6(4-2)7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyKYFKPJDHEGKEKQ-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 3-(sulfinatoamino)hexane?
The IUPAC name of 3-(sulfinatoamino)hexane (CID 57291750) is 3-(sulfinatoamino)hexane.
What is the SMILES notation for 3-(sulfinatoamino)hexane?
The canonical SMILES for 3-(sulfinatoamino)hexane is CCCC(CC)NS(=O)[O-].
What is the InChIKey of 3-(sulfinatoamino)hexane?
The InChIKey is KYFKPJDHEGKEKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO2S/c1-3-5-6(4-2)7-10(8)9/h6-7H,3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 3-(sulfinatoamino)hexane?
3-(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 3-(sulfinatoamino)hexane is sourced from PubChem (CID 57291750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).