ethene;3-ethyl-2-propylthiophene;1-methylpiperazine

C16H30N2S — CID 142603303

IUPACethene;3-ethyl-2-propylthiophene;1-methylpiperazine
SMILESC=C.CCCc1sccc1CC.CN1CCNCC1
InChIInChI=1S/C9H14S.C5H12N2.C2H4/c1-3-5-9-8(4-2)6-7-10-9;1-7-4-2-6-3-5-7;1-2/h6-7H,3-5H2,1-2H3;6H,2-5H2,1H3;1-2H2
InChIKeyOKPINPOGASCFQB-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.59
Rot. Bonds3

About ethene;3-ethyl-2-propylthiophene;1-methylpiperazine

ethene;3-ethyl-2-propylthiophene;1-methylpiperazine (PubChem CID 142603303) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is ethene;3-ethyl-2-propylthiophene;1-methylpiperazine.

Molecular Properties

Compound Nameethene;3-ethyl-2-propylthiophene;1-methylpiperazine
PubChem CID142603303
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Nameethene;3-ethyl-2-propylthiophene;1-methylpiperazine
SMILESC=C.CCCc1sccc1CC.CN1CCNCC1
InChIInChI=1S/C9H14S.C5H12N2.C2H4/c1-3-5-9-8(4-2)6-7-10-9;1-7-4-2-6-3-5-7;1-2/h6-7H,3-5H2,1-2H3;6H,2-5H2,1H3;1-2H2
InChIKeyOKPINPOGASCFQB-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;3-ethyl-2-propylthiophene;1-methylpiperazine?
The IUPAC name of ethene;3-ethyl-2-propylthiophene;1-methylpiperazine (CID 142603303) is ethene;3-ethyl-2-propylthiophene;1-methylpiperazine.
What is the SMILES notation for ethene;3-ethyl-2-propylthiophene;1-methylpiperazine?
The canonical SMILES for ethene;3-ethyl-2-propylthiophene;1-methylpiperazine is C=C.CCCc1sccc1CC.CN1CCNCC1.
What is the InChIKey of ethene;3-ethyl-2-propylthiophene;1-methylpiperazine?
The InChIKey is OKPINPOGASCFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S.C5H12N2.C2H4/c1-3-5-9-8(4-2)6-7-10-9;1-7-4-2-6-3-5-7;1-2/h6-7H,3-5H2,1-2H3;6H,2-5H2,1H3;1-2H2.
What are the key properties of ethene;3-ethyl-2-propylthiophene;1-methylpiperazine?
ethene;3-ethyl-2-propylthiophene;1-methylpiperazine has a molecular weight of 282.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-ethyl-2-propylthiophene;1-methylpiperazine is sourced from PubChem (CID 142603303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).