3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide

C11H15N3O3S3 — CID 106271482

IUPAC3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCC(=O)NC2CC2)s1
InChIInChI=1S/C11H15N3O3S3/c12-11(18)8-3-4-10(19-8)20(16,17)13-6-5-9(15)14-7-1-2-7/h3-4,7,13H,1-2,5-6H2,(H2,12,18)(H,14,15)
InChIKeyZGQYBASOOAHQAZ-UHFFFAOYSA-N
MW333.46 g/mol
LogP0.33
Rot. Bonds7

About 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide

3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide (PubChem CID 106271482) has the molecular formula C11H15N3O3S3 and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
PubChem CID106271482
Molecular FormulaC11H15N3O3S3
Molecular Weight333.46 g/mol
Exact Mass333.03
IUPAC Name3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCC(=O)NC2CC2)s1
InChIInChI=1S/C11H15N3O3S3/c12-11(18)8-3-4-10(19-8)20(16,17)13-6-5-9(15)14-7-1-2-7/h3-4,7,13H,1-2,5-6H2,(H2,12,18)(H,14,15)
InChIKeyZGQYBASOOAHQAZ-UHFFFAOYSA-N
XLogP0.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 114614582
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
ethyl 4-[(5-carbamothioylthiophen-2-yl)sulfonylamino]butanoate
CID 106271350
5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide
CID 106271155
5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272019
5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897
5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272138
5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]thiophene-2-carbothioamide
CID 106270991
N-[1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 106271713

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide (CID 106271482) is 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide is NC(=S)c1ccc(S(=O)(=O)NCCC(=O)NC2CC2)s1.
What is the InChIKey of 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide?
The InChIKey is ZGQYBASOOAHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S3/c12-11(18)8-3-4-10(19-8)20(16,17)13-6-5-9(15)14-7-1-2-7/h3-4,7,13H,1-2,5-6H2,(H2,12,18)(H,14,15).
What are the key properties of 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide?
3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide has a molecular weight of 333.46 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 106271482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).