N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide

C10H17NOS — CID 143299248

IUPACN-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide
SMILESC/C=C\C(=C/CC)NC(=O)CSC
InChIInChI=1S/C10H17NOS/c1-4-6-9(7-5-2)11-10(12)8-13-3/h4,6-7H,5,8H2,1-3H3,(H,11,12)/b6-4-,9-7+
InChIKeyCQNQOTQONLYYSL-UNQQQNFISA-N
MW199.32 g/mol
LogP2.34
Rot. Bonds5

About N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide

N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide (PubChem CID 143299248) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide
PubChem CID143299248
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide
SMILESC/C=C\C(=C/CC)NC(=O)CSC
InChIInChI=1S/C10H17NOS/c1-4-6-9(7-5-2)11-10(12)8-13-3/h4,6-7H,5,8H2,1-3H3,(H,11,12)/b6-4-,9-7+
InChIKeyCQNQOTQONLYYSL-UNQQQNFISA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide (CID 143299248) is N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide is C/C=C\C(=C/CC)NC(=O)CSC.
What is the InChIKey of N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide?
The InChIKey is CQNQOTQONLYYSL-UNQQQNFISA-N. The full InChI is InChI=1S/C10H17NOS/c1-4-6-9(7-5-2)11-10(12)8-13-3/h4,6-7H,5,8H2,1-3H3,(H,11,12)/b6-4-,9-7+.
What are the key properties of N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide?
N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide has a molecular weight of 199.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 143299248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).