tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine

C62H79F3N8O14S8 — CID 158722155

IUPACtert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine
SMILESCC(C)(C)OC(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.O=C1OCCN1S(=O)(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.O=S(=O)(NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C22H30FN3O4S3.C21H27FN2O4S2.C19H22FN3O6S3/c23-18-8-10-20(11-9-18)32(27,28)26-14-12-22(13-15-26,21-7-4-16-31-21)17-24-33(29,30)25-19-5-2-1-3-6-19;1-20(2,3)28-19(25)23-15-21(18-5-4-14-29-18)10-12-24(13-11-21)30(26,27)17-8-6-16(22)7-9-17;20-15-3-5-16(6-4-15)31(25,26)22-9-7-19(8-10-22,17-2-1-13-30-17)14-21-32(27,28)23-11-12-29-18(23)24/h4,7-11,16,19,24-25H,1-3,5-6,12-15,17H2;4-9,14H,10-13,15H2,1-3H3,(H,23,25);1-6,13,21H,7-12,14H2
InChIKeyIKAYMVNRTAVDPI-UHFFFAOYSA-N
MW1473.89 g/mol
LogP9.40
Rot. Bonds20

About tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine

tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine (PubChem CID 158722155) has the molecular formula C62H79F3N8O14S8 and a molecular weight of 1473.89 g/mol. Its IUPAC name is tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine.

Molecular Properties

Compound Nametert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine
PubChem CID158722155
Molecular FormulaC62H79F3N8O14S8
Molecular Weight1473.89 g/mol
Exact Mass1472.34
IUPAC Nametert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine
SMILESCC(C)(C)OC(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.O=C1OCCN1S(=O)(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.O=S(=O)(NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C22H30FN3O4S3.C21H27FN2O4S2.C19H22FN3O6S3/c23-18-8-10-20(11-9-18)32(27,28)26-14-12-22(13-15-26,21-7-4-16-31-21)17-24-33(29,30)25-19-5-2-1-3-6-19;1-20(2,3)28-19(25)23-15-21(18-5-4-14-29-18)10-12-24(13-11-21)30(26,27)17-8-6-16(22)7-9-17;20-15-3-5-16(6-4-15)31(25,26)22-9-7-19(8-10-22,17-2-1-13-30-17)14-21-32(27,28)23-11-12-29-18(23)24/h4,7-11,16,19,24-25H,1-3,5-6,12-15,17H2;4-9,14H,10-13,15H2,1-3H3,(H,23,25);1-6,13,21H,7-12,14H2
InChIKeyIKAYMVNRTAVDPI-UHFFFAOYSA-N
XLogP9.40
TPSA284.38 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.89
LogP ≤ 59.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine?
The IUPAC name of tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine (CID 158722155) is tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine.
What is the SMILES notation for tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine?
The canonical SMILES for tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine is CC(C)(C)OC(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.O=C1OCCN1S(=O)(=O)NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.O=S(=O)(NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCCC1.
What is the InChIKey of tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine?
The InChIKey is IKAYMVNRTAVDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O4S3.C21H27FN2O4S2.C19H22FN3O6S3/c23-18-8-10-20(11-9-18)32(27,28)26-14-12-22(13-15-26,21-7-4-16-31-21)17-24-33(29,30)25-19-5-2-1-3-6-19;1-20(2,3)28-19(25)23-15-21(18-5-4-14-29-18)10-12-24(13-11-21)30(26,27)17-8-6-16(22)7-9-17;20-15-3-5-16(6-4-15)31(25,26)22-9-7-19(8-10-22,17-2-1-13-30-17)14-21-32(27,28)23-11-12-29-18(23)24/h4,7-11,16,19,24-25H,1-3,5-6,12-15,17H2;4-9,14H,10-13,15H2,1-3H3,(H,23,25);1-6,13,21H,7-12,14H2.
What are the key properties of tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine?
tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine has a molecular weight of 1473.89 g/mol, XLogP of 9.40, 20 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamate;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-3-sulfonamide;N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]cyclohexanamine is sourced from PubChem (CID 158722155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).