ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide

C11H21NO2S — CID 143806856

IUPACethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide
SMILESC=C(C)/C=C\C(=C)CNS(C)(=O)=O.CC
InChIInChI=1S/C9H15NO2S.C2H6/c1-8(2)5-6-9(3)7-10-13(4,11)12;1-2/h5-6,10H,1,3,7H2,2,4H3;1-2H3/b6-5-;
InChIKeyNPQMYOMUUXYHNH-YSMBQZINSA-N
MW231.36 g/mol
LogP2.25
Rot. Bonds5

About ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide

ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide (PubChem CID 143806856) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide.

Molecular Properties

Compound Nameethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide
PubChem CID143806856
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Nameethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide
SMILESC=C(C)/C=C\C(=C)CNS(C)(=O)=O.CC
InChIInChI=1S/C9H15NO2S.C2H6/c1-8(2)5-6-9(3)7-10-13(4,11)12;1-2/h5-6,10H,1,3,7H2,2,4H3;1-2H3/b6-5-;
InChIKeyNPQMYOMUUXYHNH-YSMBQZINSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.25
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;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide?
The IUPAC name of ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide (CID 143806856) is ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide.
What is the SMILES notation for ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide?
The canonical SMILES for ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide is C=C(C)/C=C\C(=C)CNS(C)(=O)=O.CC.
What is the InChIKey of ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide?
The InChIKey is NPQMYOMUUXYHNH-YSMBQZINSA-N. The full InChI is InChI=1S/C9H15NO2S.C2H6/c1-8(2)5-6-9(3)7-10-13(4,11)12;1-2/h5-6,10H,1,3,7H2,2,4H3;1-2H3/b6-5-;.
What are the key properties of ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide?
ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]methanesulfonamide is sourced from PubChem (CID 143806856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).