ethene;N-methylthiolan-3-amine

C7H15NS — CID 144534973

IUPACethene;N-methylthiolan-3-amine
SMILESC=C.CNC1CCSC1
InChIInChI=1S/C5H11NS.C2H4/c1-6-5-2-3-7-4-5;1-2/h5-6H,2-4H2,1H3;1-2H2
InChIKeyJBTXGZYJIXUWCY-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.51
Rot. Bonds1

About ethene;N-methylthiolan-3-amine

ethene;N-methylthiolan-3-amine (PubChem CID 144534973) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is ethene;N-methylthiolan-3-amine.

Molecular Properties

Compound Nameethene;N-methylthiolan-3-amine
PubChem CID144534973
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nameethene;N-methylthiolan-3-amine
SMILESC=C.CNC1CCSC1
InChIInChI=1S/C5H11NS.C2H4/c1-6-5-2-3-7-4-5;1-2/h5-6H,2-4H2,1H3;1-2H2
InChIKeyJBTXGZYJIXUWCY-UHFFFAOYSA-N
XLogP1.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethene;N-methylthiolan-3-amine?
The IUPAC name of ethene;N-methylthiolan-3-amine (CID 144534973) is ethene;N-methylthiolan-3-amine.
What is the SMILES notation for ethene;N-methylthiolan-3-amine?
The canonical SMILES for ethene;N-methylthiolan-3-amine is C=C.CNC1CCSC1.
What is the InChIKey of ethene;N-methylthiolan-3-amine?
The InChIKey is JBTXGZYJIXUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.C2H4/c1-6-5-2-3-7-4-5;1-2/h5-6H,2-4H2,1H3;1-2H2.
What are the key properties of ethene;N-methylthiolan-3-amine?
ethene;N-methylthiolan-3-amine has a molecular weight of 145.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-methylthiolan-3-amine is sourced from PubChem (CID 144534973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).