3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine

C26H38FN5O3S — CID 176822177

IUPAC3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine
SMILESCCN(CC)S(=O)(=O)N[C@H]1CCN(c2cccnn2)C[C@H]1OCC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C26H38FN5O3S/c1-3-32(4-2)36(33,34)30-24-14-16-31(26-9-6-15-28-29-26)18-25(24)35-19-20-10-12-21(13-11-20)22-7-5-8-23(27)17-22/h5-9,15,17,20-21,24-25,30H,3-4,10-14,16,18-19H2,1-2H3/t20?,21?,24-,25+/m0/s1
InChIKeyRDUSSMYMNHNRBY-JNNLDFGZSA-N
MW519.69 g/mol
LogP3.73
Rot. Bonds10

About 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine

3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine (PubChem CID 176822177) has the molecular formula C26H38FN5O3S and a molecular weight of 519.69 g/mol. Its IUPAC name is 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine
PubChem CID176822177
Molecular FormulaC26H38FN5O3S
Molecular Weight519.69 g/mol
Exact Mass519.27
IUPAC Name3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine
SMILESCCN(CC)S(=O)(=O)N[C@H]1CCN(c2cccnn2)C[C@H]1OCC1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C26H38FN5O3S/c1-3-32(4-2)36(33,34)30-24-14-16-31(26-9-6-15-28-29-26)18-25(24)35-19-20-10-12-21(13-11-20)22-7-5-8-23(27)17-22/h5-9,15,17,20-21,24-25,30H,3-4,10-14,16,18-19H2,1-2H3/t20?,21?,24-,25+/m0/s1
InChIKeyRDUSSMYMNHNRBY-JNNLDFGZSA-N
XLogP3.73
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]-1-pyridazin-3-ylpiperidin-4-yl]pyrrolidine-1-sulfonamide
CID 176822178
3-(dimethylamino)-N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
CID 176822217
N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]-1-pyridazin-3-ylpiperidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane-6-sulfonamide
CID 176822195
3-[(3R,4S)-4-(dipropylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]pyridazine
CID 170638388
3-[(3R,4S)-4-[[cyclopropyl(methyl)sulfamoyl]amino]-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]pyridazine
CID 170638345
(3R,4S)-N-(ethylsulfamoyl)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 174324986
(4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-N-(methylsulfamoyl)-1-pyridazin-3-ylpiperidin-4-amine
CID 176822259
1,1,1-trifluoro-N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
CID 170638313
N-cyclobutylsulfanyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-amine;ethane;N-[3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]ethanesulfinamide
CID 170638415
(3R,4S)-1-(3,3-difluorocyclopentanecarbonyl)-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidine
CID 176822214
N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 170638740
3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-N-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)sulfanyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 170638331

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine?
The IUPAC name of 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine (CID 176822177) is 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine is CCN(CC)S(=O)(=O)N[C@H]1CCN(c2cccnn2)C[C@H]1OCC1CCC(c2cccc(F)c2)CC1.
What is the InChIKey of 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine?
The InChIKey is RDUSSMYMNHNRBY-JNNLDFGZSA-N. The full InChI is InChI=1S/C26H38FN5O3S/c1-3-32(4-2)36(33,34)30-24-14-16-31(26-9-6-15-28-29-26)18-25(24)35-19-20-10-12-21(13-11-20)22-7-5-8-23(27)17-22/h5-9,15,17,20-21,24-25,30H,3-4,10-14,16,18-19H2,1-2H3/t20?,21?,24-,25+/m0/s1.
What are the key properties of 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine?
3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine has a molecular weight of 519.69 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine is sourced from PubChem (CID 176822177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).