1-(5-chlorothiophen-2-yl)-N-methoxymethanamine

C6H8ClNOS — CID 60702305

IUPAC1-(5-chlorothiophen-2-yl)-N-methoxymethanamine
SMILESCONCc1ccc(Cl)s1
InChIInChI=1S/C6H8ClNOS/c1-9-8-4-5-2-3-6(7)10-5/h2-3,8H,4H2,1H3
InChIKeyIQLVDWGNGYXNRN-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.05
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine

1-(5-chlorothiophen-2-yl)-N-methoxymethanamine (PubChem CID 60702305) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methoxymethanamine
PubChem CID60702305
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methoxymethanamine
SMILESCONCc1ccc(Cl)s1
InChIInChI=1S/C6H8ClNOS/c1-9-8-4-5-2-3-6(7)10-5/h2-3,8H,4H2,1H3
InChIKeyIQLVDWGNGYXNRN-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine (CID 60702305) is 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine is CONCc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine?
The InChIKey is IQLVDWGNGYXNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-9-8-4-5-2-3-6(7)10-5/h2-3,8H,4H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine?
1-(5-chlorothiophen-2-yl)-N-methoxymethanamine has a molecular weight of 177.66 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methoxymethanamine is sourced from PubChem (CID 60702305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).