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

C7H10ClNOS — CID 60702641

IUPAC1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine
SMILESCCONCc1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS/c1-2-10-9-5-6-3-4-7(8)11-6/h3-4,9H,2,5H2,1H3
InChIKeyKRTAZVWOPWGKEJ-UHFFFAOYSA-N
MW191.68 g/mol
LogP2.44
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine (PubChem CID 60702641) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine
PubChem CID60702641
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine
SMILESCCONCc1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS/c1-2-10-9-5-6-3-4-7(8)11-6/h3-4,9H,2,5H2,1H3
InChIKeyKRTAZVWOPWGKEJ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethoxymethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine (CID 60702641) is 1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine is CCONCc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine?
The InChIKey is KRTAZVWOPWGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-2-10-9-5-6-3-4-7(8)11-6/h3-4,9H,2,5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine?
1-(5-chlorothiophen-2-yl)-N-ethoxymethanamine has a molecular weight of 191.68 g/mol, XLogP of 2.44, 4 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-ethoxymethanamine is sourced from PubChem (CID 60702641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).