About (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal
(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal (PubChem CID 159449122) has the molecular formula C134H231Cl2N11O33S16
and a molecular weight of 3108.34 g/mol. Its IUPAC name is (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal.
Frequently Asked Questions
What is the IUPAC name of (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal?
The IUPAC name of (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal (CID 159449122) is (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal.
What is the SMILES notation for (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal?
The canonical SMILES for (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal is CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC(NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2N(CC)C(=O)OC)S(=O)c1ccccc1.CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC=NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](C)C[C@@H]2N(CC)C(=O)OC.CCC(C)C(CC)C(CC)C(CC)C(CC)C(CC)CCC=O.CCN(C(=O)OC)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.COC(=O)Cl.COC(=O)Cl.
What is the InChIKey of (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal?
The InChIKey is LTDGCCMEKMOUMV-FMBPNVQYSA-N. The full InChI is InChI=1S/C40H66N2O7S4.C34H60N2O6S3.C22H44O.C12H21N3O5S3.C12H18N2O6S3.C10H16N2O4S3.2C2H3ClO2/c1-11-27(8)31(13-3)33(15-5)34(16-6)32(14-4)29(12-2)23-24-37(51(44)30-21-19-18-20-22-30)41-53(47,48)38-26-35-36(42(17-7)40(43)49-10)25-28(9)52(45,46)39(35)50-38;1-11-23(8)26(13-3)28(15-5)29(16-6)27(14-4)25(12-2)19-18-20-35-45(40,41)32-22-30-31(36(17-7)34(37)42-10)21-24(9)44(38,39)33(30)43-32;1-8-17(7)19(10-3)21(12-5)22(13-6)20(11-4)18(9-2)15-14-16-23;1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17;1-4-14(12(15)20-3)9-5-7(2)22(16,17)11-8(9)6-10(21-11)23(13,18)19;1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;2*1-5-2(3)4/h18-22,26-29,31-34,36-37,41H,11-17,23-25H2,1-10H3;20,22-29,31H,11-19,21H2,1-10H3;16-22H,8-15H2,1-7H3;7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17);6-7,9H,4-5H2,1-3H3,(H2,13,18,19);5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);2*1H3/t27?,28-,29?,31?,32?,33?,34?,36-,37?,51?;23?,24-,25?,26?,27?,28?,29?,31-;;10-;7-,9-;6-,8-;;/m00.000../s1.
What are the key properties of (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal?
(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal has a molecular weight of 3108.34 g/mol, XLogP of 29.89, 66 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methyl N-[(4S,6S)-2-[[1-(benzenesulfinyl)-4,5,6,7,8-pentaethyl-9-methylundecyl]sulfamoyl]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-N-ethylcarbamate;methyl carbonochloridate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-[(4,5,6,7,8-pentaethyl-9-methylundecylidene)amino]sulfonyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;methyl N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate;4,5,6,7,8-pentaethyl-9-methylundecanal is sourced from PubChem (CID 159449122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).