2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride

C6H16ClNS — CID 144895524

IUPAC2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCCSCCN(C)C.Cl
InChIInChI=1S/C6H15NS.ClH/c1-4-8-6-5-7(2)3;/h4-6H2,1-3H3;1H
InChIKeyQAMAYWQIVPLMLY-UHFFFAOYSA-N
MW169.72 g/mol
LogP1.72
Rot. Bonds4

About 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride

2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride (PubChem CID 144895524) has the molecular formula C6H16ClNS and a molecular weight of 169.72 g/mol. Its IUPAC name is 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride
PubChem CID144895524
Molecular FormulaC6H16ClNS
Molecular Weight169.72 g/mol
Exact Mass169.07
IUPAC Name2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCCSCCN(C)C.Cl
InChIInChI=1S/C6H15NS.ClH/c1-4-8-6-5-7(2)3;/h4-6H2,1-3H3;1H
InChIKeyQAMAYWQIVPLMLY-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.72
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride (CID 144895524) is 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride is CCSCCN(C)C.Cl.
What is the InChIKey of 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride?
The InChIKey is QAMAYWQIVPLMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.ClH/c1-4-8-6-5-7(2)3;/h4-6H2,1-3H3;1H.
What are the key properties of 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride?
2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride has a molecular weight of 169.72 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 144895524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).