2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide

C10H15NOS — CID 142133162

IUPAC2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide
SMILESC=C/C=C(\C=C)CSCC(=O)NC
InChIInChI=1S/C10H15NOS/c1-4-6-9(5-2)7-13-8-10(12)11-3/h4-6H,1-2,7-8H2,3H3,(H,11,12)/b9-6+
InChIKeySOTFJHHYSCHNOI-RMKNXTFCSA-N
MW197.30 g/mol
LogP1.76
Rot. Bonds6

About 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide

2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide (PubChem CID 142133162) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide
PubChem CID142133162
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide
SMILESC=C/C=C(\C=C)CSCC(=O)NC
InChIInChI=1S/C10H15NOS/c1-4-6-9(5-2)7-13-8-10(12)11-3/h4-6H,1-2,7-8H2,3H3,(H,11,12)/b9-6+
InChIKeySOTFJHHYSCHNOI-RMKNXTFCSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethenylpenta-2,4-dienylsulfanyl)propanoic acid
CID 123311297
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide
CID 143768607
(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
CID 144506280
(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
CID 143006742
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
CID 89001510
ethane;N'-[(3E)-hexa-1,3,5-trien-3-yl]-N,N'-dimethylpropanediamide
CID 143768573
N-methylbut-3-enamide
CID 13113546
2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanylacetic acid
CID 43091420
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide (CID 142133162) is 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide is C=C/C=C(\C=C)CSCC(=O)NC.
What is the InChIKey of 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide?
The InChIKey is SOTFJHHYSCHNOI-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-6-9(5-2)7-13-8-10(12)11-3/h4-6H,1-2,7-8H2,3H3,(H,11,12)/b9-6+.
What are the key properties of 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide?
2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide has a molecular weight of 197.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 142133162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).