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

C9H13NS — CID 143081819

IUPACN-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
SMILESC=C/C=C(\C=C)CNC(C)=S
InChIInChI=1S/C9H13NS/c1-4-6-9(5-2)7-10-8(3)11/h4-6H,1-2,7H2,3H3,(H,10,11)/b9-6+
InChIKeyIMEPNNIFQXBKJN-RMKNXTFCSA-N
MW167.28 g/mol
LogP2.22
Rot. Bonds4

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

N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide (PubChem CID 143081819) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide.

Molecular Properties

Compound NameN-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
PubChem CID143081819
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
SMILESC=C/C=C(\C=C)CNC(C)=S
InChIInChI=1S/C9H13NS/c1-4-6-9(5-2)7-10-8(3)11/h4-6H,1-2,7H2,3H3,(H,10,11)/b9-6+
InChIKeyIMEPNNIFQXBKJN-RMKNXTFCSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen
CID 142271577
2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
CID 142264688
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine
CID 143978564
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide
CID 143768607
(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine
CID 142463090
[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
CID 154661209
(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
CID 143006742

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide?
The IUPAC name of N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide (CID 143081819) is N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide.
What is the SMILES notation for N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide?
The canonical SMILES for N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide is C=C/C=C(\C=C)CNC(C)=S.
What is the InChIKey of N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide?
The InChIKey is IMEPNNIFQXBKJN-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-6-9(5-2)7-10-8(3)11/h4-6H,1-2,7H2,3H3,(H,10,11)/b9-6+.
What are the key properties of N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide?
N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide has a molecular weight of 167.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide is sourced from PubChem (CID 143081819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).