N-(methylsulfanylmethyl)ethanamine

C4H11NS — CID 59124426

IUPACN-(methylsulfanylmethyl)ethanamine
SMILESCCNCSC
InChIInChI=1S/C4H11NS/c1-3-5-4-6-2/h5H,3-4H2,1-2H3
InChIKeyWBCVMLZOURXIML-UHFFFAOYSA-N
MW105.21 g/mol
LogP0.92
Rot. Bonds3

About N-(methylsulfanylmethyl)ethanamine

N-(methylsulfanylmethyl)ethanamine (PubChem CID 59124426) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is N-(methylsulfanylmethyl)ethanamine.

Molecular Properties

Compound NameN-(methylsulfanylmethyl)ethanamine
PubChem CID59124426
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC NameN-(methylsulfanylmethyl)ethanamine
SMILESCCNCSC
InChIInChI=1S/C4H11NS/c1-3-5-4-6-2/h5H,3-4H2,1-2H3
InChIKeyWBCVMLZOURXIML-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methylsulfanylmethyl)ethanamine?
The IUPAC name of N-(methylsulfanylmethyl)ethanamine (CID 59124426) is N-(methylsulfanylmethyl)ethanamine.
What is the SMILES notation for N-(methylsulfanylmethyl)ethanamine?
The canonical SMILES for N-(methylsulfanylmethyl)ethanamine is CCNCSC.
What is the InChIKey of N-(methylsulfanylmethyl)ethanamine?
The InChIKey is WBCVMLZOURXIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS/c1-3-5-4-6-2/h5H,3-4H2,1-2H3.
What are the key properties of N-(methylsulfanylmethyl)ethanamine?
N-(methylsulfanylmethyl)ethanamine has a molecular weight of 105.21 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfanylmethyl)ethanamine is sourced from PubChem (CID 59124426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).