1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea

C10H13N3O2S2 — CID 891589

IUPAC1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1
InChIInChI=1S/C10H13N3O2S2/c11-17(14,15)9-5-3-8(4-6-9)13-10(16)12-7-1-2-7/h3-7H,1-2H2,(H2,11,14,15)(H2,12,13,16)
InChIKeyLKZHBUZAWUGNOM-UHFFFAOYSA-N
MW271.37 g/mol
LogP0.78
Rot. Bonds3

About 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea

1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea (PubChem CID 891589) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea
PubChem CID891589
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1
InChIInChI=1S/C10H13N3O2S2/c11-17(14,15)9-5-3-8(4-6-9)13-10(16)12-7-1-2-7/h3-7H,1-2H2,(H2,11,14,15)(H2,12,13,16)
InChIKeyLKZHBUZAWUGNOM-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea (CID 891589) is 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea is NS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea?
The InChIKey is LKZHBUZAWUGNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c11-17(14,15)9-5-3-8(4-6-9)13-10(16)12-7-1-2-7/h3-7H,1-2H2,(H2,11,14,15)(H2,12,13,16).
What are the key properties of 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea?
1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea has a molecular weight of 271.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 891589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).