1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

C17H25N3O3S2 — CID 2210495

IUPAC1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
SMILESO=S(=O)(c1ccc(NC(=S)NC2CCCCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H25N3O3S2/c21-25(22,20-10-12-23-13-11-20)16-8-6-15(7-9-16)19-17(24)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,18,19,24)
InChIKeyGHABQOLYAUUUPJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.33
Rot. Bonds4

About 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea (PubChem CID 2210495) has the molecular formula C17H25N3O3S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
PubChem CID2210495
Molecular FormulaC17H25N3O3S2
Molecular Weight383.54 g/mol
Exact Mass383.13
IUPAC Name1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
SMILESO=S(=O)(c1ccc(NC(=S)NC2CCCCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H25N3O3S2/c21-25(22,20-10-12-23-13-11-20)16-8-6-15(7-9-16)19-17(24)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,18,19,24)
InChIKeyGHABQOLYAUUUPJ-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]cyclopentanecarboxamide
CID 2412835
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
1-cyclopentyl-3-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27521970
4-cyclohexyl-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide
CID 17271620
(2S,6S)-2,6-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-1-carbothioamide
CID 27522121
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
1-(tert-butylamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 2421720
1-(fluoren-9-ylideneamino)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 4030644
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 8624511
(E)-N-(cyclopropylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2421551
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea (CID 2210495) is 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is O=S(=O)(c1ccc(NC(=S)NC2CCCCC2)cc1)N1CCOCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The InChIKey is GHABQOLYAUUUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S2/c21-25(22,20-10-12-23-13-11-20)16-8-6-15(7-9-16)19-17(24)18-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H2,18,19,24).
What are the key properties of 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea has a molecular weight of 383.54 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is sourced from PubChem (CID 2210495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).