N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide

C10H11NO2S — CID 152816327

IUPACN,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide
SMILESC=C1C=C(C(=O)NC)C(=O)C(S)=C1C
InChIInChI=1S/C10H11NO2S/c1-5-4-7(10(13)11-3)8(12)9(14)6(5)2/h4,14H,1H2,2-3H3,(H,11,13)
InChIKeySSLKCELQCLPDOX-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.00
Rot. Bonds1

About N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide

N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide (PubChem CID 152816327) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide
PubChem CID152816327
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC NameN,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide
SMILESC=C1C=C(C(=O)NC)C(=O)C(S)=C1C
InChIInChI=1S/C10H11NO2S/c1-5-4-7(10(13)11-3)8(12)9(14)6(5)2/h4,14H,1H2,2-3H3,(H,11,13)
InChIKeySSLKCELQCLPDOX-UHFFFAOYSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide?
The IUPAC name of N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide (CID 152816327) is N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide?
The canonical SMILES for N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide is C=C1C=C(C(=O)NC)C(=O)C(S)=C1C.
What is the InChIKey of N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide?
The InChIKey is SSLKCELQCLPDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-5-4-7(10(13)11-3)8(12)9(14)6(5)2/h4,14H,1H2,2-3H3,(H,11,13).
What are the key properties of N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide?
N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide has a molecular weight of 209.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-methylidene-6-oxo-5-sulfanylcyclohexa-1,4-diene-1-carboxamide is sourced from PubChem (CID 152816327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).