(E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide

C15H29NOS — CID 11108459

IUPAC(E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide
SMILESCCCCC/C=C/CC(SC)C(=O)NCC(C)C
InChIInChI=1S/C15H29NOS/c1-5-6-7-8-9-10-11-14(18-4)15(17)16-12-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,16,17)/b10-9+
InChIKeyAVOZBEGBXWGVSW-MDZDMXLPSA-N
MW271.47 g/mol
LogP4.02
Rot. Bonds10

About (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide

(E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide (PubChem CID 11108459) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide
PubChem CID11108459
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name(E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide
SMILESCCCCC/C=C/CC(SC)C(=O)NCC(C)C
InChIInChI=1S/C15H29NOS/c1-5-6-7-8-9-10-11-14(18-4)15(17)16-12-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,16,17)/b10-9+
InChIKeyAVOZBEGBXWGVSW-MDZDMXLPSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide?
The IUPAC name of (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide (CID 11108459) is (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide?
The canonical SMILES for (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide is CCCCC/C=C/CC(SC)C(=O)NCC(C)C.
What is the InChIKey of (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide?
The InChIKey is AVOZBEGBXWGVSW-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H29NOS/c1-5-6-7-8-9-10-11-14(18-4)15(17)16-12-13(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,16,17)/b10-9+.
What are the key properties of (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide?
(E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide has a molecular weight of 271.47 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)-2-methylsulfanyldec-4-enamide is sourced from PubChem (CID 11108459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).