ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine

C15H21NS — CID 167489781

IUPACethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine
SMILESCC.CCc1sc(-c2ccccc2)cc1NC
InChIInChI=1S/C13H15NS.C2H6/c1-3-12-11(14-2)9-13(15-12)10-7-5-4-6-8-10;1-2/h4-9,14H,3H2,1-2H3;1-2H3
InChIKeyCAYVZMUKXLYOTD-UHFFFAOYSA-N
MW247.41 g/mol
LogP5.05
Rot. Bonds3

About ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine

ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine (PubChem CID 167489781) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine.

Molecular Properties

Compound Nameethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine
PubChem CID167489781
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Nameethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine
SMILESCC.CCc1sc(-c2ccccc2)cc1NC
InChIInChI=1S/C13H15NS.C2H6/c1-3-12-11(14-2)9-13(15-12)10-7-5-4-6-8-10;1-2/h4-9,14H,3H2,1-2H3;1-2H3
InChIKeyCAYVZMUKXLYOTD-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine?
The IUPAC name of ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine (CID 167489781) is ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine.
What is the SMILES notation for ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine?
The canonical SMILES for ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine is CC.CCc1sc(-c2ccccc2)cc1NC.
What is the InChIKey of ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine?
The InChIKey is CAYVZMUKXLYOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.C2H6/c1-3-12-11(14-2)9-13(15-12)10-7-5-4-6-8-10;1-2/h4-9,14H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine?
ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine has a molecular weight of 247.41 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-N-methyl-5-phenylthiophen-3-amine is sourced from PubChem (CID 167489781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).