ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide

C10H19NO2S — CID 142196482

IUPACethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C/C=C(C)\C(=C/C)S(N)(=O)=O.CC
InChIInChI=1S/C8H13NO2S.C2H6/c1-4-6-7(3)8(5-2)12(9,10)11;1-2/h4-6H,1H2,2-3H3,(H2,9,10,11);1-2H3/b7-6-,8-5+;
InChIKeyNNRGNBOIZRERNY-LAPANCLDSA-N
MW217.33 g/mol
LogP2.34
Rot. Bonds3

About ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide

ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide (PubChem CID 142196482) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide.

Molecular Properties

Compound Nameethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide
PubChem CID142196482
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Nameethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C/C=C(C)\C(=C/C)S(N)(=O)=O.CC
InChIInChI=1S/C8H13NO2S.C2H6/c1-4-6-7(3)8(5-2)12(9,10)11;1-2/h4-6H,1H2,2-3H3,(H2,9,10,11);1-2H3/b7-6-,8-5+;
InChIKeyNNRGNBOIZRERNY-LAPANCLDSA-N
XLogP2.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.34
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 ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide?
The IUPAC name of ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide (CID 142196482) is ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide.
What is the SMILES notation for ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide?
The canonical SMILES for ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide is C=C/C=C(C)\C(=C/C)S(N)(=O)=O.CC.
What is the InChIKey of ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide?
The InChIKey is NNRGNBOIZRERNY-LAPANCLDSA-N. The full InChI is InChI=1S/C8H13NO2S.C2H6/c1-4-6-7(3)8(5-2)12(9,10)11;1-2/h4-6H,1H2,2-3H3,(H2,9,10,11);1-2H3/b7-6-,8-5+;.
What are the key properties of ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide?
ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide has a molecular weight of 217.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-4-methylhepta-2,4,6-triene-3-sulfonamide is sourced from PubChem (CID 142196482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).