[4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium

C7H11N2O2S+ — CID 142233969

IUPAC[4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium
SMILESCN(C)C(=O)c1scc(N)c1[OH2+]
InChIInChI=1S/C7H10N2O2S/c1-9(2)7(11)6-5(10)4(8)3-12-6/h3,10H,8H2,1-2H3/p+1
InChIKeySWIKMSIJRGYUIT-UHFFFAOYSA-O
MW187.24 g/mol
LogP0.47
Rot. Bonds1

About [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium

[4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium (PubChem CID 142233969) has the molecular formula C7H11N2O2S+ and a molecular weight of 187.24 g/mol. Its IUPAC name is [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium.

Molecular Properties

Compound Name[4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium
PubChem CID142233969
Molecular FormulaC7H11N2O2S+
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name[4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium
SMILESCN(C)C(=O)c1scc(N)c1[OH2+]
InChIInChI=1S/C7H10N2O2S/c1-9(2)7(11)6-5(10)4(8)3-12-6/h3,10H,8H2,1-2H3/p+1
InChIKeySWIKMSIJRGYUIT-UHFFFAOYSA-O
XLogP0.47
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium 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 [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium?
The IUPAC name of [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium (CID 142233969) is [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium.
What is the SMILES notation for [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium?
The canonical SMILES for [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium is CN(C)C(=O)c1scc(N)c1[OH2+].
What is the InChIKey of [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium?
The InChIKey is SWIKMSIJRGYUIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2O2S/c1-9(2)7(11)6-5(10)4(8)3-12-6/h3,10H,8H2,1-2H3/p+1.
What are the key properties of [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium?
[4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium has a molecular weight of 187.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylcarbamoyl)thiophen-3-yl]oxidanium is sourced from PubChem (CID 142233969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).