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

C13H19N3O2S2 — CID 892446

IUPAC1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C13H19N3O2S2/c14-20(17,18)12-8-6-11(7-9-12)16-13(19)15-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,14,17,18)(H2,15,16,19)
InChIKeyVDHAPQOXKYQZDW-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.95
Rot. Bonds3

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

1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea (PubChem CID 892446) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea
PubChem CID892446
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C13H19N3O2S2/c14-20(17,18)12-8-6-11(7-9-12)16-13(19)15-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,14,17,18)(H2,15,16,19)
InChIKeyVDHAPQOXKYQZDW-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
N1-[4-(piperidinosulfonyl)phenyl]hydrazine-1-carbothioamide
CID 2803710
1-Phenyl-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 3421033
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
1-Cyclohexyl-3-phenyl-2-thiourea
CID 766306
1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)thiourea
CID 730546
4-[(Cyclopentylcarbamoyl)amino]benzenesulfonamide
CID 27870443
1-(4-Iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 87523231
N-cyclohexyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide
CID 1792409
1-Phenyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 747569
4-{[(Cyclohexylamino)carbonyl]amino}benzenesulfonamide
CID 1226644

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea (CID 892446) is 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea is NS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea?
The InChIKey is VDHAPQOXKYQZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c14-20(17,18)12-8-6-11(7-9-12)16-13(19)15-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,14,17,18)(H2,15,16,19).
What are the key properties of 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea?
1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea has a molecular weight of 313.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 892446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).