N-(2-sulfanylethyl)dec-2-enamide

C12H23NOS — CID 88633886

IUPACN-(2-sulfanylethyl)dec-2-enamide
SMILESCCCCCCCC=CC(=O)NCCS
InChIInChI=1S/C12H23NOS/c1-2-3-4-5-6-7-8-9-12(14)13-10-11-15/h8-9,15H,2-7,10-11H2,1H3,(H,13,14)
InChIKeyKADJSKHBZWEMHC-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.95
Rot. Bonds9

About N-(2-sulfanylethyl)dec-2-enamide

N-(2-sulfanylethyl)dec-2-enamide (PubChem CID 88633886) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-(2-sulfanylethyl)dec-2-enamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)dec-2-enamide
PubChem CID88633886
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-(2-sulfanylethyl)dec-2-enamide
SMILESCCCCCCCC=CC(=O)NCCS
InChIInChI=1S/C12H23NOS/c1-2-3-4-5-6-7-8-9-12(14)13-10-11-15/h8-9,15H,2-7,10-11H2,1H3,(H,13,14)
InChIKeyKADJSKHBZWEMHC-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-butyldec-2-enamide
CID 160628271
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344
N-[2-(diethylamino)ethyl]dec-2-enamide
CID 123705769
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
2-(dodec-2-enoylamino)acetic acid
CID 75296754
4-[[(E)-dodec-2-enoyl]amino]butane-1-sulfonic acid
CID 101284524
(E)-N-[3-(diethylamino)propyl]dec-2-enamide
CID 86694810
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
3-[[(E)-oct-2-enoyl]amino]propane-1-sulfonic acid
CID 101283798

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylethyl)dec-2-enamide?
The IUPAC name of N-(2-sulfanylethyl)dec-2-enamide (CID 88633886) is N-(2-sulfanylethyl)dec-2-enamide.
What is the SMILES notation for N-(2-sulfanylethyl)dec-2-enamide?
The canonical SMILES for N-(2-sulfanylethyl)dec-2-enamide is CCCCCCCC=CC(=O)NCCS.
What is the InChIKey of N-(2-sulfanylethyl)dec-2-enamide?
The InChIKey is KADJSKHBZWEMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-2-3-4-5-6-7-8-9-12(14)13-10-11-15/h8-9,15H,2-7,10-11H2,1H3,(H,13,14).
What are the key properties of N-(2-sulfanylethyl)dec-2-enamide?
N-(2-sulfanylethyl)dec-2-enamide has a molecular weight of 229.39 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)dec-2-enamide is sourced from PubChem (CID 88633886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).