1-oxo-1-(sulfinatoamino)tetradecane

C14H28NO3S- — CID 57259243

IUPAC1-oxo-1-(sulfinatoamino)tetradecane
SMILESCCCCCCCCCCCCCC(=O)NS(=O)[O-]
InChIInChI=1S/C14H29NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-19(17)18/h2-13H2,1H3,(H,15,16)(H,17,18)/p-1
InChIKeyQWVYZKHPFJHVEI-UHFFFAOYSA-M
MW290.45 g/mol
LogP3.60
Rot. Bonds13

About 1-oxo-1-(sulfinatoamino)tetradecane

1-oxo-1-(sulfinatoamino)tetradecane (PubChem CID 57259243) has the molecular formula C14H28NO3S- and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-oxo-1-(sulfinatoamino)tetradecane.

Molecular Properties

Compound Name1-oxo-1-(sulfinatoamino)tetradecane
PubChem CID57259243
Molecular FormulaC14H28NO3S-
Molecular Weight290.45 g/mol
Exact Mass290.18
IUPAC Name1-oxo-1-(sulfinatoamino)tetradecane
SMILESCCCCCCCCCCCCCC(=O)NS(=O)[O-]
InChIInChI=1S/C14H29NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-19(17)18/h2-13H2,1H3,(H,15,16)(H,17,18)/p-1
InChIKeyQWVYZKHPFJHVEI-UHFFFAOYSA-M
XLogP3.60
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-oxidotetradecanamide
CID 23094369
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-chlorodocosanamide
CID 141032944
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-methylheptacosanamide
CID 18175889
N-methylundecanamide
CID 23297450
N-methylnonadecanamide
CID 2724821
N-octanoyloctanamide;hydrobromide
CID 175059894
N-hydroxytridecanamide
CID 14122613
octadecane-9,10-dione
CID 10902085
nonatriacontane-16,17-dione
CID 175447711

Frequently Asked Questions

What is the IUPAC name of 1-oxo-1-(sulfinatoamino)tetradecane?
The IUPAC name of 1-oxo-1-(sulfinatoamino)tetradecane (CID 57259243) is 1-oxo-1-(sulfinatoamino)tetradecane.
What is the SMILES notation for 1-oxo-1-(sulfinatoamino)tetradecane?
The canonical SMILES for 1-oxo-1-(sulfinatoamino)tetradecane is CCCCCCCCCCCCCC(=O)NS(=O)[O-].
What is the InChIKey of 1-oxo-1-(sulfinatoamino)tetradecane?
The InChIKey is QWVYZKHPFJHVEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H29NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15-19(17)18/h2-13H2,1H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 1-oxo-1-(sulfinatoamino)tetradecane?
1-oxo-1-(sulfinatoamino)tetradecane has a molecular weight of 290.45 g/mol, XLogP of 3.60, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-1-(sulfinatoamino)tetradecane is sourced from PubChem (CID 57259243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).