3,5-diethoxy-4-methylthiophen-2-amine

C9H15NO2S — CID 45093916

IUPAC3,5-diethoxy-4-methylthiophen-2-amine
SMILESCCOc1sc(N)c(OCC)c1C
InChIInChI=1S/C9H15NO2S/c1-4-11-7-6(3)9(12-5-2)13-8(7)10/h4-5,10H2,1-3H3
InChIKeyBDZUEQPUACUQQN-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.44
Rot. Bonds4

About 3,5-diethoxy-4-methylthiophen-2-amine

3,5-diethoxy-4-methylthiophen-2-amine (PubChem CID 45093916) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 3,5-diethoxy-4-methylthiophen-2-amine.

Molecular Properties

Compound Name3,5-diethoxy-4-methylthiophen-2-amine
PubChem CID45093916
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name3,5-diethoxy-4-methylthiophen-2-amine
SMILESCCOc1sc(N)c(OCC)c1C
InChIInChI=1S/C9H15NO2S/c1-4-11-7-6(3)9(12-5-2)13-8(7)10/h4-5,10H2,1-3H3
InChIKeyBDZUEQPUACUQQN-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxy-4-methylthiophen-2-amine?
The IUPAC name of 3,5-diethoxy-4-methylthiophen-2-amine (CID 45093916) is 3,5-diethoxy-4-methylthiophen-2-amine.
What is the SMILES notation for 3,5-diethoxy-4-methylthiophen-2-amine?
The canonical SMILES for 3,5-diethoxy-4-methylthiophen-2-amine is CCOc1sc(N)c(OCC)c1C.
What is the InChIKey of 3,5-diethoxy-4-methylthiophen-2-amine?
The InChIKey is BDZUEQPUACUQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-11-7-6(3)9(12-5-2)13-8(7)10/h4-5,10H2,1-3H3.
What are the key properties of 3,5-diethoxy-4-methylthiophen-2-amine?
3,5-diethoxy-4-methylthiophen-2-amine has a molecular weight of 201.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-4-methylthiophen-2-amine is sourced from PubChem (CID 45093916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).