ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole

C13H26N2S — CID 144774242

IUPACethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
SMILESC=C1NC2CSC(CCCCC)C2N1.CC
InChIInChI=1S/C11H20N2S.C2H6/c1-3-4-5-6-10-11-9(7-14-10)12-8(2)13-11;1-2/h9-13H,2-7H2,1H3;1-2H3
InChIKeyHJFNBVQJOVWJBY-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.11
Rot. Bonds4

About ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole

ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole (PubChem CID 144774242) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole.

Molecular Properties

Compound Nameethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
PubChem CID144774242
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Nameethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole
SMILESC=C1NC2CSC(CCCCC)C2N1.CC
InChIInChI=1S/C11H20N2S.C2H6/c1-3-4-5-6-10-11-9(7-14-10)12-8(2)13-11;1-2/h9-13H,2-7H2,1H3;1-2H3
InChIKeyHJFNBVQJOVWJBY-UHFFFAOYSA-N
XLogP3.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The IUPAC name of ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole (CID 144774242) is ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole.
What is the SMILES notation for ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The canonical SMILES for ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole is C=C1NC2CSC(CCCCC)C2N1.CC.
What is the InChIKey of ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
The InChIKey is HJFNBVQJOVWJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S.C2H6/c1-3-4-5-6-10-11-9(7-14-10)12-8(2)13-11;1-2/h9-13H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole?
ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole has a molecular weight of 242.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-4-pentyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole is sourced from PubChem (CID 144774242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).