2-(thiolan-2-yl)ethanamine;hydrochloride

C6H14ClNS — CID 53423396

IUPAC2-(thiolan-2-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CCCS1
InChIInChI=1S/C6H13NS.ClH/c7-4-3-6-2-1-5-8-6;/h6H,1-5,7H2;1H
InChIKeyWHRDROCCWWFJAI-UHFFFAOYSA-N
MW167.70 g/mol
LogP1.65
Rot. Bonds2

About 2-(thiolan-2-yl)ethanamine;hydrochloride

2-(thiolan-2-yl)ethanamine;hydrochloride (PubChem CID 53423396) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is 2-(thiolan-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(thiolan-2-yl)ethanamine;hydrochloride
PubChem CID53423396
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC Name2-(thiolan-2-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CCCS1
InChIInChI=1S/C6H13NS.ClH/c7-4-3-6-2-1-5-8-6;/h6H,1-5,7H2;1H
InChIKeyWHRDROCCWWFJAI-UHFFFAOYSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(thiolan-2-yl)ethanamine;hydrochloride (CID 53423396) is 2-(thiolan-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(thiolan-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(thiolan-2-yl)ethanamine;hydrochloride is Cl.NCCC1CCCS1.
What is the InChIKey of 2-(thiolan-2-yl)ethanamine;hydrochloride?
The InChIKey is WHRDROCCWWFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c7-4-3-6-2-1-5-8-6;/h6H,1-5,7H2;1H.
What are the key properties of 2-(thiolan-2-yl)ethanamine;hydrochloride?
2-(thiolan-2-yl)ethanamine;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 53423396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).