2-[(ethoxyamino)methyl]thiophen-3-amine

C7H12N2OS — CID 82710189

IUPAC2-[(ethoxyamino)methyl]thiophen-3-amine
SMILESCCONCc1sccc1N
InChIInChI=1S/C7H12N2OS/c1-2-10-9-5-7-6(8)3-4-11-7/h3-4,9H,2,5,8H2,1H3
InChIKeyYPNDEMOEKVJVIE-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.37
Rot. Bonds4

About 2-[(ethoxyamino)methyl]thiophen-3-amine

2-[(ethoxyamino)methyl]thiophen-3-amine (PubChem CID 82710189) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[(ethoxyamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(ethoxyamino)methyl]thiophen-3-amine
PubChem CID82710189
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-[(ethoxyamino)methyl]thiophen-3-amine
SMILESCCONCc1sccc1N
InChIInChI=1S/C7H12N2OS/c1-2-10-9-5-7-6(8)3-4-11-7/h3-4,9H,2,5,8H2,1H3
InChIKeyYPNDEMOEKVJVIE-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(ethoxyamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(ethoxyamino)methyl]thiophen-3-amine (CID 82710189) is 2-[(ethoxyamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(ethoxyamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(ethoxyamino)methyl]thiophen-3-amine is CCONCc1sccc1N.
What is the InChIKey of 2-[(ethoxyamino)methyl]thiophen-3-amine?
The InChIKey is YPNDEMOEKVJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-10-9-5-7-6(8)3-4-11-7/h3-4,9H,2,5,8H2,1H3.
What are the key properties of 2-[(ethoxyamino)methyl]thiophen-3-amine?
2-[(ethoxyamino)methyl]thiophen-3-amine has a molecular weight of 172.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethoxyamino)methyl]thiophen-3-amine is sourced from PubChem (CID 82710189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).