N-(thiolan-3-yl)hexa-2,4-dienamide

C10H15NOS — CID 131236586

IUPACN-(thiolan-3-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC1CCSC1
InChIInChI=1S/C10H15NOS/c1-2-3-4-5-10(12)11-9-6-7-13-8-9/h2-5,9H,6-8H2,1H3,(H,11,12)
InChIKeyJCSGENGJABCPRV-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.74
Rot. Bonds3

About N-(thiolan-3-yl)hexa-2,4-dienamide

N-(thiolan-3-yl)hexa-2,4-dienamide (PubChem CID 131236586) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-(thiolan-3-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(thiolan-3-yl)hexa-2,4-dienamide
PubChem CID131236586
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-(thiolan-3-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC1CCSC1
InChIInChI=1S/C10H15NOS/c1-2-3-4-5-10(12)11-9-6-7-13-8-9/h2-5,9H,6-8H2,1H3,(H,11,12)
InChIKeyJCSGENGJABCPRV-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)hexa-2,4-dienamide?
The IUPAC name of N-(thiolan-3-yl)hexa-2,4-dienamide (CID 131236586) is N-(thiolan-3-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(thiolan-3-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(thiolan-3-yl)hexa-2,4-dienamide is CC=CC=CC(=O)NC1CCSC1.
What is the InChIKey of N-(thiolan-3-yl)hexa-2,4-dienamide?
The InChIKey is JCSGENGJABCPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-3-4-5-10(12)11-9-6-7-13-8-9/h2-5,9H,6-8H2,1H3,(H,11,12).
What are the key properties of N-(thiolan-3-yl)hexa-2,4-dienamide?
N-(thiolan-3-yl)hexa-2,4-dienamide has a molecular weight of 197.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)hexa-2,4-dienamide is sourced from PubChem (CID 131236586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).