2-ethenylsulfanyl-N-methylethanamine

C5H11NS — CID 54151199

IUPAC2-ethenylsulfanyl-N-methylethanamine
SMILESC=CSCCNC
InChIInChI=1S/C5H11NS/c1-3-7-5-4-6-2/h3,6H,1,4-5H2,2H3
InChIKeyOHWBJBZVYGDDNO-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.08
Rot. Bonds4

About 2-ethenylsulfanyl-N-methylethanamine

2-ethenylsulfanyl-N-methylethanamine (PubChem CID 54151199) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-ethenylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name2-ethenylsulfanyl-N-methylethanamine
PubChem CID54151199
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-ethenylsulfanyl-N-methylethanamine
SMILESC=CSCCNC
InChIInChI=1S/C5H11NS/c1-3-7-5-4-6-2/h3,6H,1,4-5H2,2H3
InChIKeyOHWBJBZVYGDDNO-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.08
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 2-ethenylsulfanyl-N-methylethanamine?
The IUPAC name of 2-ethenylsulfanyl-N-methylethanamine (CID 54151199) is 2-ethenylsulfanyl-N-methylethanamine.
What is the SMILES notation for 2-ethenylsulfanyl-N-methylethanamine?
The canonical SMILES for 2-ethenylsulfanyl-N-methylethanamine is C=CSCCNC.
What is the InChIKey of 2-ethenylsulfanyl-N-methylethanamine?
The InChIKey is OHWBJBZVYGDDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-3-7-5-4-6-2/h3,6H,1,4-5H2,2H3.
What are the key properties of 2-ethenylsulfanyl-N-methylethanamine?
2-ethenylsulfanyl-N-methylethanamine has a molecular weight of 117.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-N-methylethanamine is sourced from PubChem (CID 54151199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).