1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

C24H22N4O3S2 — CID 4030644

IUPAC1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
SMILESO=S(=O)(c1ccc(NC(=S)NN=C2c3ccccc3-c3ccccc32)cc1)N1CCOCC1
InChIInChI=1S/C24H22N4O3S2/c29-33(30,28-13-15-31-16-14-28)18-11-9-17(10-12-18)25-24(32)27-26-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12H,13-16H2,(H2,25,27,32)
InChIKeyQKYTXTFOWFPUJW-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.43
Rot. Bonds4

About 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 4030644) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID4030644
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
SMILESO=S(=O)(c1ccc(NC(=S)NN=C2c3ccccc3-c3ccccc32)cc1)N1CCOCC1
InChIInChI=1S/C24H22N4O3S2/c29-33(30,28-13-15-31-16-14-28)18-11-9-17(10-12-18)25-24(32)27-26-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12H,13-16H2,(H2,25,27,32)
InChIKeyQKYTXTFOWFPUJW-UHFFFAOYSA-N
XLogP3.43
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
1-(4-morpholin-4-ylsulfonylphenyl)-3-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea
CID 42915303
1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2421720
1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 2212017
1-(3,3-diphenylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 3601294
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2210495
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2412835
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 136879316
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 4579397
1-[(E)-(4-cyanophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 6902914
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271594

Frequently Asked Questions

What is the IUPAC name of 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea (CID 4030644) is 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is O=S(=O)(c1ccc(NC(=S)NN=C2c3ccccc3-c3ccccc32)cc1)N1CCOCC1.
What is the InChIKey of 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is QKYTXTFOWFPUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c29-33(30,28-13-15-31-16-14-28)18-11-9-17(10-12-18)25-24(32)27-26-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12H,13-16H2,(H2,25,27,32).
What are the key properties of 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 478.60 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 4030644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).