3-decylsulfinylprop-2-enamide

C13H25NO2S — CID 59733781

IUPAC3-decylsulfinylprop-2-enamide
SMILESCCCCCCCCCCS(=O)C=CC(N)=O
InChIInChI=1S/C13H25NO2S/c1-2-3-4-5-6-7-8-9-11-17(16)12-10-13(14)15/h10,12H,2-9,11H2,1H3,(H2,14,15)
InChIKeyIDTFXNPFQCXRBA-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.87
Rot. Bonds11

About 3-decylsulfinylprop-2-enamide

3-decylsulfinylprop-2-enamide (PubChem CID 59733781) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 3-decylsulfinylprop-2-enamide.

Molecular Properties

Compound Name3-decylsulfinylprop-2-enamide
PubChem CID59733781
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name3-decylsulfinylprop-2-enamide
SMILESCCCCCCCCCCS(=O)C=CC(N)=O
InChIInChI=1S/C13H25NO2S/c1-2-3-4-5-6-7-8-9-11-17(16)12-10-13(14)15/h10,12H,2-9,11H2,1H3,(H2,14,15)
InChIKeyIDTFXNPFQCXRBA-UHFFFAOYSA-N
XLogP2.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-butylsulfinyl-N-propylprop-2-enamide
CID 5384056
(Z)-non-2-enamide
CID 97047009
docosa-2,13-dienamide
CID 91597038
3-[(S)-octylsulfinyl]propanamide
CID 98083877
heptyl (Z)-4-amino-4-oxobut-2-enoate
CID 139644348
trideca-2,6-dienamide
CID 163862607
N'-hexylbut-2-enediamide
CID 154301502
(Z)-N'-decylbut-2-enediamide
CID 87339219
icosa-2,4-dienamide
CID 123364114
pentadecane-1-sulfinic acid
CID 20739365
(Z)-N'-hexyl-N'-methylbut-2-enediamide
CID 87339309
1-heptadecylsulfinylheptadecane
CID 54059826

Frequently Asked Questions

What is the IUPAC name of 3-decylsulfinylprop-2-enamide?
The IUPAC name of 3-decylsulfinylprop-2-enamide (CID 59733781) is 3-decylsulfinylprop-2-enamide.
What is the SMILES notation for 3-decylsulfinylprop-2-enamide?
The canonical SMILES for 3-decylsulfinylprop-2-enamide is CCCCCCCCCCS(=O)C=CC(N)=O.
What is the InChIKey of 3-decylsulfinylprop-2-enamide?
The InChIKey is IDTFXNPFQCXRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-3-4-5-6-7-8-9-11-17(16)12-10-13(14)15/h10,12H,2-9,11H2,1H3,(H2,14,15).
What are the key properties of 3-decylsulfinylprop-2-enamide?
3-decylsulfinylprop-2-enamide has a molecular weight of 259.41 g/mol, XLogP of 2.87, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decylsulfinylprop-2-enamide is sourced from PubChem (CID 59733781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).