[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone

C14H22N2O3S — CID 103423405

IUPAC[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
SMILESCOCCNc1sc(C(=O)C2CC2)c(N)c1OC(C)C
InChIInChI=1S/C14H22N2O3S/c1-8(2)19-12-10(15)13(11(17)9-4-5-9)20-14(12)16-6-7-18-3/h8-9,16H,4-7,15H2,1-3H3
InChIKeyMOUASHWWVBSTPK-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.77
Rot. Bonds8

About [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone (PubChem CID 103423405) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
PubChem CID103423405
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone
SMILESCOCCNc1sc(C(=O)C2CC2)c(N)c1OC(C)C
InChIInChI=1S/C14H22N2O3S/c1-8(2)19-12-10(15)13(11(17)9-4-5-9)20-14(12)16-6-7-18-3/h8-9,16H,4-7,15H2,1-3H3
InChIKeyMOUASHWWVBSTPK-UHFFFAOYSA-N
XLogP2.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone (CID 103423405) is [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone is COCCNc1sc(C(=O)C2CC2)c(N)c1OC(C)C.
What is the InChIKey of [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
The InChIKey is MOUASHWWVBSTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-8(2)19-12-10(15)13(11(17)9-4-5-9)20-14(12)16-6-7-18-3/h8-9,16H,4-7,15H2,1-3H3.
What are the key properties of [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone has a molecular weight of 298.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxythiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103423405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).