1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine

C6H11NS — CID 125424518

IUPAC1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine
SMILESCNCC1=CCSC1
InChIInChI=1S/C6H11NS/c1-7-4-6-2-3-8-5-6/h2,7H,3-5H2,1H3
InChIKeyZNFOPRZWTGKILW-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.88
Rot. Bonds2

About 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine

1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine (PubChem CID 125424518) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine
PubChem CID125424518
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine
SMILESCNCC1=CCSC1
InChIInChI=1S/C6H11NS/c1-7-4-6-2-3-8-5-6/h2,7H,3-5H2,1H3
InChIKeyZNFOPRZWTGKILW-UHFFFAOYSA-N
XLogP0.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.88
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 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine (CID 125424518) is 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine is CNCC1=CCSC1.
What is the InChIKey of 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine?
The InChIKey is ZNFOPRZWTGKILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-7-4-6-2-3-8-5-6/h2,7H,3-5H2,1H3.
What are the key properties of 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine?
1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine has a molecular weight of 129.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydrothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 125424518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).