3-ethyl-N,4-dimethylthiophen-2-amine

C8H13NS — CID 142259236

IUPAC3-ethyl-N,4-dimethylthiophen-2-amine
SMILESCCc1c(C)csc1NC
InChIInChI=1S/C8H13NS/c1-4-7-6(2)5-10-8(7)9-3/h5,9H,4H2,1-3H3
InChIKeyMYGIXVBCLGSPQK-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.66
Rot. Bonds2

About 3-ethyl-N,4-dimethylthiophen-2-amine

3-ethyl-N,4-dimethylthiophen-2-amine (PubChem CID 142259236) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3-ethyl-N,4-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-ethyl-N,4-dimethylthiophen-2-amine
PubChem CID142259236
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3-ethyl-N,4-dimethylthiophen-2-amine
SMILESCCc1c(C)csc1NC
InChIInChI=1S/C8H13NS/c1-4-7-6(2)5-10-8(7)9-3/h5,9H,4H2,1-3H3
InChIKeyMYGIXVBCLGSPQK-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,4-dimethylthiophen-2-amine?
The IUPAC name of 3-ethyl-N,4-dimethylthiophen-2-amine (CID 142259236) is 3-ethyl-N,4-dimethylthiophen-2-amine.
What is the SMILES notation for 3-ethyl-N,4-dimethylthiophen-2-amine?
The canonical SMILES for 3-ethyl-N,4-dimethylthiophen-2-amine is CCc1c(C)csc1NC.
What is the InChIKey of 3-ethyl-N,4-dimethylthiophen-2-amine?
The InChIKey is MYGIXVBCLGSPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-7-6(2)5-10-8(7)9-3/h5,9H,4H2,1-3H3.
What are the key properties of 3-ethyl-N,4-dimethylthiophen-2-amine?
3-ethyl-N,4-dimethylthiophen-2-amine has a molecular weight of 155.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,4-dimethylthiophen-2-amine is sourced from PubChem (CID 142259236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).