2-thiophen-3-ylpropan-1-amine;hydrochloride

C7H12ClNS — CID 67850872

IUPAC2-thiophen-3-ylpropan-1-amine;hydrochloride
SMILESCC(CN)c1ccsc1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-6(4-8)7-2-3-9-5-7;/h2-3,5-6H,4,8H2,1H3;1H
InChIKeyYXXYDFUNNIFOEC-UHFFFAOYSA-N
MW177.70 g/mol
LogP2.23
Rot. Bonds2

About 2-thiophen-3-ylpropan-1-amine;hydrochloride

2-thiophen-3-ylpropan-1-amine;hydrochloride (PubChem CID 67850872) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is 2-thiophen-3-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-thiophen-3-ylpropan-1-amine;hydrochloride
PubChem CID67850872
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC Name2-thiophen-3-ylpropan-1-amine;hydrochloride
SMILESCC(CN)c1ccsc1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-6(4-8)7-2-3-9-5-7;/h2-3,5-6H,4,8H2,1H3;1H
InChIKeyYXXYDFUNNIFOEC-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.70
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylpropan-1-amine;hydrochloride?
The IUPAC name of 2-thiophen-3-ylpropan-1-amine;hydrochloride (CID 67850872) is 2-thiophen-3-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-thiophen-3-ylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-thiophen-3-ylpropan-1-amine;hydrochloride is CC(CN)c1ccsc1.Cl.
What is the InChIKey of 2-thiophen-3-ylpropan-1-amine;hydrochloride?
The InChIKey is YXXYDFUNNIFOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.ClH/c1-6(4-8)7-2-3-9-5-7;/h2-3,5-6H,4,8H2,1H3;1H.
What are the key properties of 2-thiophen-3-ylpropan-1-amine;hydrochloride?
2-thiophen-3-ylpropan-1-amine;hydrochloride has a molecular weight of 177.70 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 67850872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).