(1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine

C6H11NS — CID 89246156

IUPAC(1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine
SMILESC[C@H](N)C1CC=CS1
InChIInChI=1S/C6H11NS/c1-5(7)6-3-2-4-8-6/h2,4-6H,3,7H2,1H3/t5-,6?/m0/s1
InChIKeyLXSLGPNSXDSSSN-ZBHICJROSA-N
MW129.23 g/mol
LogP1.35
Rot. Bonds1

About (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine

(1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine (PubChem CID 89246156) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine
PubChem CID89246156
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine
SMILESC[C@H](N)C1CC=CS1
InChIInChI=1S/C6H11NS/c1-5(7)6-3-2-4-8-6/h2,4-6H,3,7H2,1H3/t5-,6?/m0/s1
InChIKeyLXSLGPNSXDSSSN-ZBHICJROSA-N
XLogP1.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine?
The IUPAC name of (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine (CID 89246156) is (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine is C[C@H](N)C1CC=CS1.
What is the InChIKey of (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine?
The InChIKey is LXSLGPNSXDSSSN-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(7)6-3-2-4-8-6/h2,4-6H,3,7H2,1H3/t5-,6?/m0/s1.
What are the key properties of (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine?
(1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine has a molecular weight of 129.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydrothiophen-2-yl)ethanamine is sourced from PubChem (CID 89246156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).