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

C14H21N3O2S2 — CID 899491

IUPAC1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NC2CCCCCC2)cc1
InChIInChI=1S/C14H21N3O2S2/c15-21(18,19)13-9-7-12(8-10-13)17-14(20)16-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H2,15,18,19)(H2,16,17,20)
InChIKeyNPNNSJUCQFQJPG-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.34
Rot. Bonds3

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

1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea (PubChem CID 899491) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea
PubChem CID899491
Molecular FormulaC14H21N3O2S2
Molecular Weight327.47 g/mol
Exact Mass327.11
IUPAC Name1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NC2CCCCCC2)cc1
InChIInChI=1S/C14H21N3O2S2/c15-21(18,19)13-9-7-12(8-10-13)17-14(20)16-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H2,15,18,19)(H2,16,17,20)
InChIKeyNPNNSJUCQFQJPG-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea 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 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea?
The IUPAC name of 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea (CID 899491) is 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea is NS(=O)(=O)c1ccc(NC(=S)NC2CCCCCC2)cc1.
What is the InChIKey of 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea?
The InChIKey is NPNNSJUCQFQJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c15-21(18,19)13-9-7-12(8-10-13)17-14(20)16-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H2,15,18,19)(H2,16,17,20).
What are the key properties of 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea?
1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea has a molecular weight of 327.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 899491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).