(1S)-1-thiophen-2-ylethanamine;hydrochloride

C6H10ClNS — CID 50988049

IUPAC(1S)-1-thiophen-2-ylethanamine;hydrochloride
SMILESC[C@H](N)c1cccs1.Cl
InChIInChI=1S/C6H9NS.ClH/c1-5(7)6-3-2-4-8-6;/h2-5H,7H2,1H3;1H/t5-;/m0./s1
InChIKeyCMCVTULVSCSWOB-JEDNCBNOSA-N
MW163.67 g/mol
LogP2.19
Rot. Bonds1

About (1S)-1-thiophen-2-ylethanamine;hydrochloride

(1S)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 50988049) has the molecular formula C6H10ClNS and a molecular weight of 163.67 g/mol. Its IUPAC name is (1S)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID50988049
Molecular FormulaC6H10ClNS
Molecular Weight163.67 g/mol
Exact Mass163.02
IUPAC Name(1S)-1-thiophen-2-ylethanamine;hydrochloride
SMILESC[C@H](N)c1cccs1.Cl
InChIInChI=1S/C6H9NS.ClH/c1-5(7)6-3-2-4-8-6;/h2-5H,7H2,1H3;1H/t5-;/m0./s1
InChIKeyCMCVTULVSCSWOB-JEDNCBNOSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.67
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of (1S)-1-thiophen-2-ylethanamine;hydrochloride (CID 50988049) is (1S)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for (1S)-1-thiophen-2-ylethanamine;hydrochloride is C[C@H](N)c1cccs1.Cl.
What is the InChIKey of (1S)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is CMCVTULVSCSWOB-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9NS.ClH/c1-5(7)6-3-2-4-8-6;/h2-5H,7H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-thiophen-2-ylethanamine;hydrochloride?
(1S)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 163.67 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 50988049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).