2-ethylsulfanyl-2-phenylethanamine;hydrochloride

C10H16ClNS — CID 3025581

IUPAC2-ethylsulfanyl-2-phenylethanamine;hydrochloride
SMILESCCSC(CN)c1ccccc1.Cl
InChIInChI=1S/C10H15NS.ClH/c1-2-12-10(8-11)9-6-4-3-5-7-9;/h3-7,10H,2,8,11H2,1H3;1H
InChIKeyLUGVKFICWRXHMT-UHFFFAOYSA-N
MW217.77 g/mol
LogP2.86
Rot. Bonds4

About 2-ethylsulfanyl-2-phenylethanamine;hydrochloride

2-ethylsulfanyl-2-phenylethanamine;hydrochloride (PubChem CID 3025581) has the molecular formula C10H16ClNS and a molecular weight of 217.77 g/mol. Its IUPAC name is 2-ethylsulfanyl-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfanyl-2-phenylethanamine;hydrochloride
PubChem CID3025581
Molecular FormulaC10H16ClNS
Molecular Weight217.77 g/mol
Exact Mass217.07
IUPAC Name2-ethylsulfanyl-2-phenylethanamine;hydrochloride
SMILESCCSC(CN)c1ccccc1.Cl
InChIInChI=1S/C10H15NS.ClH/c1-2-12-10(8-11)9-6-4-3-5-7-9;/h3-7,10H,2,8,11H2,1H3;1H
InChIKeyLUGVKFICWRXHMT-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-2-phenylethanamine;hydrochloride?
The IUPAC name of 2-ethylsulfanyl-2-phenylethanamine;hydrochloride (CID 3025581) is 2-ethylsulfanyl-2-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-ethylsulfanyl-2-phenylethanamine;hydrochloride?
The canonical SMILES for 2-ethylsulfanyl-2-phenylethanamine;hydrochloride is CCSC(CN)c1ccccc1.Cl.
What is the InChIKey of 2-ethylsulfanyl-2-phenylethanamine;hydrochloride?
The InChIKey is LUGVKFICWRXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS.ClH/c1-2-12-10(8-11)9-6-4-3-5-7-9;/h3-7,10H,2,8,11H2,1H3;1H.
What are the key properties of 2-ethylsulfanyl-2-phenylethanamine;hydrochloride?
2-ethylsulfanyl-2-phenylethanamine;hydrochloride has a molecular weight of 217.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 3025581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).