1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea

C12H17N3O2S2 — CID 19680552

IUPAC1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
SMILESCCNS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1
InChIInChI=1S/C12H17N3O2S2/c1-2-13-19(16,17)11-7-5-10(6-8-11)15-12(18)14-9-3-4-9/h5-9,13H,2-4H2,1H3,(H2,14,15,18)
InChIKeyXOIBFNPCFLSNER-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.43
Rot. Bonds5

About 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea

1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea (PubChem CID 19680552) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
PubChem CID19680552
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
SMILESCCNS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1
InChIInChI=1S/C12H17N3O2S2/c1-2-13-19(16,17)11-7-5-10(6-8-11)15-12(18)14-9-3-4-9/h5-9,13H,2-4H2,1H3,(H2,14,15,18)
InChIKeyXOIBFNPCFLSNER-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.43
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

1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea
CID 155518251
1-[4-(ethylsulfamoyl)phenyl]-3-phenylthiourea
CID 19680507
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea
CID 155566999
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cycloheptylthiourea;hydrochloride
CID 155568890
1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678676
1-[4-(ethylsulfamoyl)phenyl]-3-(2-methoxyethyl)thiourea
CID 19680553
(2R)-N-[4-(ethylsulfamoyl)phenyl]-2-methylpiperidine-1-carbothioamide
CID 27518485
N-[4-(ethylsulfamoyl)phenyl]-3-methylpiperidine-1-carbothioamide
CID 17255662
1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 19678760
1-(2,5-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680524
1-[4-(ethylsulfamoyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 17255659

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea (CID 19680552) is 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea is CCNS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea?
The InChIKey is XOIBFNPCFLSNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-2-13-19(16,17)11-7-5-10(6-8-11)15-12(18)14-9-3-4-9/h5-9,13H,2-4H2,1H3,(H2,14,15,18).
What are the key properties of 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea?
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea has a molecular weight of 299.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 19680552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).