4-(sulfinatoamino)decane

C10H22NO2S- — CID 57421745

IUPAC4-(sulfinatoamino)decane
SMILESCCCCCCC(CCC)NS(=O)[O-]
InChIInChI=1S/C10H23NO2S/c1-3-5-6-7-9-10(8-4-2)11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13)/p-1
InChIKeyZQNZBIHCPJPVTD-UHFFFAOYSA-M
MW220.36 g/mol
LogP2.51
Rot. Bonds9

About 4-(sulfinatoamino)decane

4-(sulfinatoamino)decane (PubChem CID 57421745) has the molecular formula C10H22NO2S- and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(sulfinatoamino)decane.

Molecular Properties

Compound Name4-(sulfinatoamino)decane
PubChem CID57421745
Molecular FormulaC10H22NO2S-
Molecular Weight220.36 g/mol
Exact Mass220.14
IUPAC Name4-(sulfinatoamino)decane
SMILESCCCCCCC(CCC)NS(=O)[O-]
InChIInChI=1S/C10H23NO2S/c1-3-5-6-7-9-10(8-4-2)11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13)/p-1
InChIKeyZQNZBIHCPJPVTD-UHFFFAOYSA-M
XLogP2.51
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(sulfinatoamino)decane?
The IUPAC name of 4-(sulfinatoamino)decane (CID 57421745) is 4-(sulfinatoamino)decane.
What is the SMILES notation for 4-(sulfinatoamino)decane?
The canonical SMILES for 4-(sulfinatoamino)decane is CCCCCCC(CCC)NS(=O)[O-].
What is the InChIKey of 4-(sulfinatoamino)decane?
The InChIKey is ZQNZBIHCPJPVTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23NO2S/c1-3-5-6-7-9-10(8-4-2)11-14(12)13/h10-11H,3-9H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 4-(sulfinatoamino)decane?
4-(sulfinatoamino)decane has a molecular weight of 220.36 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfinatoamino)decane is sourced from PubChem (CID 57421745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).