1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea

C15H24N4O2S2 — CID 155566999

IUPAC1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea
SMILESNCCNS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H24N4O2S2/c16-10-11-17-23(20,21)14-8-6-13(7-9-14)19-15(22)18-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11,16H2,(H2,18,19,22)
InChIKeyBBQNOXAILDPGDQ-UHFFFAOYSA-N
MW356.52 g/mol
LogP1.54
Rot. Bonds6

About 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea

1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea (PubChem CID 155566999) has the molecular formula C15H24N4O2S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea
PubChem CID155566999
Molecular FormulaC15H24N4O2S2
Molecular Weight356.52 g/mol
Exact Mass356.13
IUPAC Name1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea
SMILESNCCNS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C15H24N4O2S2/c16-10-11-17-23(20,21)14-8-6-13(7-9-14)19-15(22)18-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11,16H2,(H2,18,19,22)
InChIKeyBBQNOXAILDPGDQ-UHFFFAOYSA-N
XLogP1.54
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cycloheptylthiourea;hydrochloride
CID 155568890
1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea
CID 155518251
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 19678760
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-tert-butylthiourea;hydrochloride
CID 155559406
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-[(4-chlorophenyl)methyl]thiourea;hydrochloride
CID 155549838
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2210495
1-cyclooctyl-3-(4-nitrophenyl)thiourea
CID 8627304
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678676

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea?
The IUPAC name of 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea (CID 155566999) is 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea.
What is the SMILES notation for 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea?
The canonical SMILES for 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea is NCCNS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea?
The InChIKey is BBQNOXAILDPGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S2/c16-10-11-17-23(20,21)14-8-6-13(7-9-14)19-15(22)18-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11,16H2,(H2,18,19,22).
What are the key properties of 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea?
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea has a molecular weight of 356.52 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea is sourced from PubChem (CID 155566999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).