1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine

C20H28FN3O4S3 — CID 23600372

IUPAC1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine
SMILESCCCN(C)S(=O)(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN3O4S3/c1-3-12-23(2)31(27,28)22-16-20(19-5-4-15-29-19)10-13-24(14-11-20)30(25,26)18-8-6-17(21)7-9-18/h4-9,15,22H,3,10-14,16H2,1-2H3
InChIKeyWMNJDNKPCFIVEU-UHFFFAOYSA-N
MW489.66 g/mol
LogP2.79
Rot. Bonds9

About 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine

1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine (PubChem CID 23600372) has the molecular formula C20H28FN3O4S3 and a molecular weight of 489.66 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine
PubChem CID23600372
Molecular FormulaC20H28FN3O4S3
Molecular Weight489.66 g/mol
Exact Mass489.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine
SMILESCCCN(C)S(=O)(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H28FN3O4S3/c1-3-12-23(2)31(27,28)22-16-20(19-5-4-15-29-19)10-13-24(14-11-20)30(25,26)18-8-6-17(21)7-9-18/h4-9,15,22H,3,10-14,16H2,1-2H3
InChIKeyWMNJDNKPCFIVEU-UHFFFAOYSA-N
XLogP2.79
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine (CID 23600372) is 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine is CCCN(C)S(=O)(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine?
The InChIKey is WMNJDNKPCFIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O4S3/c1-3-12-23(2)31(27,28)22-16-20(19-5-4-15-29-19)10-13-24(14-11-20)30(25,26)18-8-6-17(21)7-9-18/h4-9,15,22H,3,10-14,16H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine?
1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine has a molecular weight of 489.66 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-[[[methyl(propyl)sulfamoyl]amino]methyl]-4-thiophen-2-ylpiperidine is sourced from PubChem (CID 23600372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).