N-methyl-2-methylsulfanylethanamine

C4H11NS — CID 18670831

IUPACN-methyl-2-methylsulfanylethanamine
SMILESCNCCSC
InChIInChI=1S/C4H11NS/c1-5-3-4-6-2/h5H,3-4H2,1-2H3
InChIKeyRBEQDVAYBZLKRS-UHFFFAOYSA-N
MW105.21 g/mol
LogP0.57
Rot. Bonds3

About N-methyl-2-methylsulfanylethanamine

N-methyl-2-methylsulfanylethanamine (PubChem CID 18670831) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylethanamine
PubChem CID18670831
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC NameN-methyl-2-methylsulfanylethanamine
SMILESCNCCSC
InChIInChI=1S/C4H11NS/c1-5-3-4-6-2/h5H,3-4H2,1-2H3
InChIKeyRBEQDVAYBZLKRS-UHFFFAOYSA-N
XLogP0.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 50.57
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?
The IUPAC name of N-methyl-2-methylsulfanylethanamine (CID 18670831) is N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-methyl-2-methylsulfanylethanamine is CNCCSC.
What is the InChIKey of N-methyl-2-methylsulfanylethanamine?
The InChIKey is RBEQDVAYBZLKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS/c1-5-3-4-6-2/h5H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanylethanamine?
N-methyl-2-methylsulfanylethanamine has a molecular weight of 105.21 g/mol, XLogP of 0.57, 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 is sourced from PubChem (CID 18670831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).