N-methyl-2-methylsulfanylethanamine;hydrochloride

C4H12ClNS — CID 18670830

IUPACN-methyl-2-methylsulfanylethanamine;hydrochloride
SMILESCNCCSC.Cl
InChIInChI=1S/C4H11NS.ClH/c1-5-3-4-6-2;/h5H,3-4H2,1-2H3;1H
InChIKeyFCGVQPRADOCBMP-UHFFFAOYSA-N
MW141.67 g/mol
LogP0.99
Rot. Bonds3

About N-methyl-2-methylsulfanylethanamine;hydrochloride

N-methyl-2-methylsulfanylethanamine;hydrochloride (PubChem CID 18670830) has the molecular formula C4H12ClNS and a molecular weight of 141.67 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylethanamine;hydrochloride
PubChem CID18670830
Molecular FormulaC4H12ClNS
Molecular Weight141.67 g/mol
Exact Mass141.04
IUPAC NameN-methyl-2-methylsulfanylethanamine;hydrochloride
SMILESCNCCSC.Cl
InChIInChI=1S/C4H11NS.ClH/c1-5-3-4-6-2;/h5H,3-4H2,1-2H3;1H
InChIKeyFCGVQPRADOCBMP-UHFFFAOYSA-N
XLogP0.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.67
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 N-methyl-2-methylsulfanylethanamine;hydrochloride?
The IUPAC name of N-methyl-2-methylsulfanylethanamine;hydrochloride (CID 18670830) is N-methyl-2-methylsulfanylethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-methylsulfanylethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-methylsulfanylethanamine;hydrochloride is CNCCSC.Cl.
What is the InChIKey of N-methyl-2-methylsulfanylethanamine;hydrochloride?
The InChIKey is FCGVQPRADOCBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS.ClH/c1-5-3-4-6-2;/h5H,3-4H2,1-2H3;1H.
What are the key properties of N-methyl-2-methylsulfanylethanamine;hydrochloride?
N-methyl-2-methylsulfanylethanamine;hydrochloride has a molecular weight of 141.67 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylethanamine;hydrochloride is sourced from PubChem (CID 18670830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).