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

C6H11NS — CID 55299959

IUPACN-ethyl-2,3-dihydrothiophen-4-amine
SMILESCCNC1=CSCC1
InChIInChI=1S/C6H11NS/c1-2-7-6-3-4-8-5-6/h5,7H,2-4H2,1H3
InChIKeyZQHVFAZROLADOQ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.57
Rot. Bonds2

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

N-ethyl-2,3-dihydrothiophen-4-amine (PubChem CID 55299959) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-ethyl-2,3-dihydrothiophen-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dihydrothiophen-4-amine
PubChem CID55299959
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-ethyl-2,3-dihydrothiophen-4-amine
SMILESCCNC1=CSCC1
InChIInChI=1S/C6H11NS/c1-2-7-6-3-4-8-5-6/h5,7H,2-4H2,1H3
InChIKeyZQHVFAZROLADOQ-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dihydrothiophen-4-amine?
The IUPAC name of N-ethyl-2,3-dihydrothiophen-4-amine (CID 55299959) is N-ethyl-2,3-dihydrothiophen-4-amine.
What is the SMILES notation for N-ethyl-2,3-dihydrothiophen-4-amine?
The canonical SMILES for N-ethyl-2,3-dihydrothiophen-4-amine is CCNC1=CSCC1.
What is the InChIKey of N-ethyl-2,3-dihydrothiophen-4-amine?
The InChIKey is ZQHVFAZROLADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-2-7-6-3-4-8-5-6/h5,7H,2-4H2,1H3.
What are the key properties of N-ethyl-2,3-dihydrothiophen-4-amine?
N-ethyl-2,3-dihydrothiophen-4-amine has a molecular weight of 129.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dihydrothiophen-4-amine is sourced from PubChem (CID 55299959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).