but-2-ene;N-methylethanamine;methylsulfanylethane

C13H33NS2 — CID 91153432

IUPACbut-2-ene;N-methylethanamine;methylsulfanylethane
SMILESCC=CC.CCNC.CCSC.CCSC
InChIInChI=1S/C4H8.C3H9N.2C3H8S/c4*1-3-4-2/h3-4H,1-2H3;4H,3H2,1-2H3;2*3H2,1-2H3
InChIKeyXEWZRBMQEYXFQZ-UHFFFAOYSA-N
MW267.55 g/mol
LogP4.55
Rot. Bonds3

About but-2-ene;N-methylethanamine;methylsulfanylethane

but-2-ene;N-methylethanamine;methylsulfanylethane (PubChem CID 91153432) has the molecular formula C13H33NS2 and a molecular weight of 267.55 g/mol. Its IUPAC name is but-2-ene;N-methylethanamine;methylsulfanylethane.

Molecular Properties

Compound Namebut-2-ene;N-methylethanamine;methylsulfanylethane
PubChem CID91153432
Molecular FormulaC13H33NS2
Molecular Weight267.55 g/mol
Exact Mass267.21
IUPAC Namebut-2-ene;N-methylethanamine;methylsulfanylethane
SMILESCC=CC.CCNC.CCSC.CCSC
InChIInChI=1S/C4H8.C3H9N.2C3H8S/c4*1-3-4-2/h3-4H,1-2H3;4H,3H2,1-2H3;2*3H2,1-2H3
InChIKeyXEWZRBMQEYXFQZ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-ene;N-methylethanamine;methylsulfanylethane?
The IUPAC name of but-2-ene;N-methylethanamine;methylsulfanylethane (CID 91153432) is but-2-ene;N-methylethanamine;methylsulfanylethane.
What is the SMILES notation for but-2-ene;N-methylethanamine;methylsulfanylethane?
The canonical SMILES for but-2-ene;N-methylethanamine;methylsulfanylethane is CC=CC.CCNC.CCSC.CCSC.
What is the InChIKey of but-2-ene;N-methylethanamine;methylsulfanylethane?
The InChIKey is XEWZRBMQEYXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H9N.2C3H8S/c4*1-3-4-2/h3-4H,1-2H3;4H,3H2,1-2H3;2*3H2,1-2H3.
What are the key properties of but-2-ene;N-methylethanamine;methylsulfanylethane?
but-2-ene;N-methylethanamine;methylsulfanylethane has a molecular weight of 267.55 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;N-methylethanamine;methylsulfanylethane is sourced from PubChem (CID 91153432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).