(3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide

C11H19NO2S — CID 146556388

IUPAC(3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide
SMILESC=C(/C(=C\C)C1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C11H19NO2S/c1-3-11(9(2)15(12,13)14)10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3,(H2,12,13,14)/b11-3+
InChIKeyIQDFPSJRBXDBQY-QDEBKDIKSA-N
MW229.34 g/mol
LogP2.32
Rot. Bonds3

About (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide

(3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide (PubChem CID 146556388) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide
PubChem CID146556388
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name(3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide
SMILESC=C(/C(=C\C)C1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C11H19NO2S/c1-3-11(9(2)15(12,13)14)10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3,(H2,12,13,14)/b11-3+
InChIKeyIQDFPSJRBXDBQY-QDEBKDIKSA-N
XLogP2.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.32
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 (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide?
The IUPAC name of (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide (CID 146556388) is (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide.
What is the SMILES notation for (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide?
The canonical SMILES for (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide is C=C(/C(=C\C)C1CCCCC1)S(N)(=O)=O.
What is the InChIKey of (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide?
The InChIKey is IQDFPSJRBXDBQY-QDEBKDIKSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-3-11(9(2)15(12,13)14)10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3,(H2,12,13,14)/b11-3+.
What are the key properties of (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide?
(3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide has a molecular weight of 229.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-cyclohexylpenta-1,3-diene-2-sulfonamide is sourced from PubChem (CID 146556388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).