1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea

C15H24N4O2S2 — CID 155518251

IUPAC1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea
SMILESCNCCNS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1
InChIInChI=1S/C15H24N4O2S2/c1-16-10-11-17-23(20,21)14-8-6-13(7-9-14)19-15(22)18-12-4-2-3-5-12/h6-9,12,16-17H,2-5,10-11H2,1H3,(H2,18,19,22)
InChIKeyOMUAQCCJAWDRMO-UHFFFAOYSA-N
MW356.52 g/mol
LogP1.41
Rot. Bonds7

About 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea

1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea (PubChem CID 155518251) has the molecular formula C15H24N4O2S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea
PubChem CID155518251
Molecular FormulaC15H24N4O2S2
Molecular Weight356.52 g/mol
Exact Mass356.13
IUPAC Name1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea
SMILESCNCCNS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1
InChIInChI=1S/C15H24N4O2S2/c1-16-10-11-17-23(20,21)14-8-6-13(7-9-14)19-15(22)18-12-4-2-3-5-12/h6-9,12,16-17H,2-5,10-11H2,1H3,(H2,18,19,22)
InChIKeyOMUAQCCJAWDRMO-UHFFFAOYSA-N
XLogP1.41
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea
CID 155566999
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cycloheptylthiourea;hydrochloride
CID 155568890
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 19678760
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
1-cyclopentyl-3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27521970
1-cycloheptyl-3-(4-ethoxyphenyl)thiourea
CID 8627943
1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678676
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]cyclohexanecarboxamide
CID 108571113
methyl 2-[4-(cycloheptylcarbamothioylamino)phenyl]acetate
CID 943661
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2210495

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea (CID 155518251) is 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea is CNCCNS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea?
The InChIKey is OMUAQCCJAWDRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S2/c1-16-10-11-17-23(20,21)14-8-6-13(7-9-14)19-15(22)18-12-4-2-3-5-12/h6-9,12,16-17H,2-5,10-11H2,1H3,(H2,18,19,22).
What are the key properties of 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea?
1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea has a molecular weight of 356.52 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea is sourced from PubChem (CID 155518251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).