ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine

C11H22N2S — CID 143348607

IUPACethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine
SMILESC=C/C=C(\SC)C1CN(C)CN1.CC
InChIInChI=1S/C9H16N2S.C2H6/c1-4-5-9(12-3)8-6-11(2)7-10-8;1-2/h4-5,8,10H,1,6-7H2,2-3H3;1-2H3/b9-5-;
InChIKeyBAJDESGZJZZNLR-UYTGOYFPSA-N
MW214.38 g/mol
LogP2.31
Rot. Bonds3

About ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine

ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine (PubChem CID 143348607) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine.

Molecular Properties

Compound Nameethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine
PubChem CID143348607
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Nameethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine
SMILESC=C/C=C(\SC)C1CN(C)CN1.CC
InChIInChI=1S/C9H16N2S.C2H6/c1-4-5-9(12-3)8-6-11(2)7-10-8;1-2/h4-5,8,10H,1,6-7H2,2-3H3;1-2H3/b9-5-;
InChIKeyBAJDESGZJZZNLR-UYTGOYFPSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine?
The IUPAC name of ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine (CID 143348607) is ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine.
What is the SMILES notation for ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine?
The canonical SMILES for ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine is C=C/C=C(\SC)C1CN(C)CN1.CC.
What is the InChIKey of ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine?
The InChIKey is BAJDESGZJZZNLR-UYTGOYFPSA-N. The full InChI is InChI=1S/C9H16N2S.C2H6/c1-4-5-9(12-3)8-6-11(2)7-10-8;1-2/h4-5,8,10H,1,6-7H2,2-3H3;1-2H3/b9-5-;.
What are the key properties of ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine?
ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine has a molecular weight of 214.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]imidazolidine is sourced from PubChem (CID 143348607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).