ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine

C10H21NS — CID 145210274

IUPACethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine
SMILESC=C.C=CSCCN(C)CCC
InChIInChI=1S/C8H17NS.C2H4/c1-4-6-9(3)7-8-10-5-2;1-2/h5H,2,4,6-8H2,1,3H3;1-2H2
InChIKeyDFOHXWZDJNIDSR-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.01
Rot. Bonds6

About ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine

ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine (PubChem CID 145210274) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine
PubChem CID145210274
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine
SMILESC=C.C=CSCCN(C)CCC
InChIInChI=1S/C8H17NS.C2H4/c1-4-6-9(3)7-8-10-5-2;1-2/h5H,2,4,6-8H2,1,3H3;1-2H2
InChIKeyDFOHXWZDJNIDSR-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine?
The IUPAC name of ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine (CID 145210274) is ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine.
What is the SMILES notation for ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine?
The canonical SMILES for ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine is C=C.C=CSCCN(C)CCC.
What is the InChIKey of ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine?
The InChIKey is DFOHXWZDJNIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS.C2H4/c1-4-6-9(3)7-8-10-5-2;1-2/h5H,2,4,6-8H2,1,3H3;1-2H2.
What are the key properties of ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine?
ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-(2-ethenylsulfanylethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 145210274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).