ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen

C15H33NS — CID 143347244

IUPACethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen
SMILESCC.CC.CC.CCNC1CCc2sccc21.[H][H]
InChIInChI=1S/C9H13NS.3C2H6.H2/c1-2-10-8-3-4-9-7(8)5-6-11-9;3*1-2;/h5-6,8,10H,2-4H2,1H3;3*1-2H3;1H
InChIKeyCTELMGVUOLZFKA-UHFFFAOYSA-N
MW259.50 g/mol
LogP5.67
Rot. Bonds2

About ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen

ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen (PubChem CID 143347244) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen
PubChem CID143347244
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC Nameethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen
SMILESCC.CC.CC.CCNC1CCc2sccc21.[H][H]
InChIInChI=1S/C9H13NS.3C2H6.H2/c1-2-10-8-3-4-9-7(8)5-6-11-9;3*1-2;/h5-6,8,10H,2-4H2,1H3;3*1-2H3;1H
InChIKeyCTELMGVUOLZFKA-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.50
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen?
The IUPAC name of ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen (CID 143347244) is ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen.
What is the SMILES notation for ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen?
The canonical SMILES for ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen is CC.CC.CC.CCNC1CCc2sccc21.[H][H].
What is the InChIKey of ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen?
The InChIKey is CTELMGVUOLZFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.3C2H6.H2/c1-2-10-8-3-4-9-7(8)5-6-11-9;3*1-2;/h5-6,8,10H,2-4H2,1H3;3*1-2H3;1H.
What are the key properties of ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen?
ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen has a molecular weight of 259.50 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine;molecular hydrogen is sourced from PubChem (CID 143347244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).