2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone

C100H117F7N20O22S8 — CID 159388169

IUPAC2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone
SMILESCC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(F)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.CCS(=O)(=O)N1CC[C@@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(F)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.CCS(=O)(=O)N1CC[C@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(OC)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.COc1ccc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@]34CCN(S(=O)(=O)c3ccc(F)cc3)C4)c2)nc1
InChIInChI=1S/C28H29F2N5O6S2.C25H31F2N5O5S2.C24H30FN5O6S2.C23H27F2N5O5S2/c1-27(22-14-18(4-10-23(22)30)15-25(36)24-11-7-20(41-3)16-32-24)28(43(39,40)34(2)26(31)33-27)12-13-35(17-28)42(37,38)21-8-5-19(29)6-9-21;1-16(2)14-38(34,35)32-10-9-25(15-32)24(3,30-23(28)31(4)39(25,36)37)19-11-17(5-7-20(19)27)12-22(33)21-8-6-18(26)13-29-21;1-5-37(32,33)30-11-10-24(15-30)23(2,28-22(26)29(3)38(24,34)35)18-12-16(6-8-19(18)25)13-21(31)20-9-7-17(36-4)14-27-20;1-4-36(32,33)30-10-9-23(14-30)22(2,28-21(26)29(3)37(23,34)35)17-11-15(5-7-18(17)25)12-20(31)19-8-6-16(24)13-27-19/h4-11,14,16H,12-13,15,17H2,1-3H3,(H2,31,33);5-8,11,13,16H,9-10,12,14-15H2,1-4H3,(H2,28,30);6-9,12,14H,5,10-11,13,15H2,1-4H3,(H2,26,28);5-8,11,13H,4,9-10,12,14H2,1-3H3,(H2,26,28)/t27-,28+;24-,25-;23-,24+;22-,23-/m1111/s1
InChIKeyLLTQTLCVPFJEHY-DPGLDSARSA-N
MW2340.68 g/mol
LogP7.09
Rot. Bonds27

About 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone

2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone (PubChem CID 159388169) has the molecular formula C100H117F7N20O22S8 and a molecular weight of 2340.68 g/mol. Its IUPAC name is 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone
PubChem CID159388169
Molecular FormulaC100H117F7N20O22S8
Molecular Weight2340.68 g/mol
Exact Mass2338.63
IUPAC Name2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone
SMILESCC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(F)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.CCS(=O)(=O)N1CC[C@@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(F)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.CCS(=O)(=O)N1CC[C@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(OC)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.COc1ccc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@]34CCN(S(=O)(=O)c3ccc(F)cc3)C4)c2)nc1
InChIInChI=1S/C28H29F2N5O6S2.C25H31F2N5O5S2.C24H30FN5O6S2.C23H27F2N5O5S2/c1-27(22-14-18(4-10-23(22)30)15-25(36)24-11-7-20(41-3)16-32-24)28(43(39,40)34(2)26(31)33-27)12-13-35(17-28)42(37,38)21-8-5-19(29)6-9-21;1-16(2)14-38(34,35)32-10-9-25(15-32)24(3,30-23(28)31(4)39(25,36)37)19-11-17(5-7-20(19)27)12-22(33)21-8-6-18(26)13-29-21;1-5-37(32,33)30-11-10-24(15-30)23(2,28-22(26)29(3)38(24,34)35)18-12-16(6-8-19(18)25)13-21(31)20-9-7-17(36-4)14-27-20;1-4-36(32,33)30-10-9-23(14-30)22(2,28-21(26)29(3)37(23,34)35)17-11-15(5-7-18(17)25)12-20(31)19-8-6-16(24)13-27-19/h4-11,14,16H,12-13,15,17H2,1-3H3,(H2,31,33);5-8,11,13,16H,9-10,12,14-15H2,1-4H3,(H2,28,30);6-9,12,14H,5,10-11,13,15H2,1-4H3,(H2,26,28);5-8,11,13H,4,9-10,12,14H2,1-3H3,(H2,26,28)/t27-,28+;24-,25-;23-,24+;22-,23-/m1111/s1
InChIKeyLLTQTLCVPFJEHY-DPGLDSARSA-N
XLogP7.09
TPSA590.86 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002340.68
LogP ≤ 57.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone (CID 159388169) is 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone is CC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(F)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.CCS(=O)(=O)N1CC[C@@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(F)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.CCS(=O)(=O)N1CC[C@]2(C1)[C@@](C)(c1cc(CC(=O)c3ccc(OC)cn3)ccc1F)N=C(N)N(C)S2(=O)=O.COc1ccc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@]34CCN(S(=O)(=O)c3ccc(F)cc3)C4)c2)nc1.
What is the InChIKey of 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone?
The InChIKey is LLTQTLCVPFJEHY-DPGLDSARSA-N. The full InChI is InChI=1S/C28H29F2N5O6S2.C25H31F2N5O5S2.C24H30FN5O6S2.C23H27F2N5O5S2/c1-27(22-14-18(4-10-23(22)30)15-25(36)24-11-7-20(41-3)16-32-24)28(43(39,40)34(2)26(31)33-27)12-13-35(17-28)42(37,38)21-8-5-19(29)6-9-21;1-16(2)14-38(34,35)32-10-9-25(15-32)24(3,30-23(28)31(4)39(25,36)37)19-11-17(5-7-20(19)27)12-22(33)21-8-6-18(26)13-29-21;1-5-37(32,33)30-11-10-24(15-30)23(2,28-22(26)29(3)38(24,34)35)18-12-16(6-8-19(18)25)13-21(31)20-9-7-17(36-4)14-27-20;1-4-36(32,33)30-10-9-23(14-30)22(2,28-21(26)29(3)37(23,34)35)17-11-15(5-7-18(17)25)12-20(31)19-8-6-16(24)13-27-19/h4-11,14,16H,12-13,15,17H2,1-3H3,(H2,31,33);5-8,11,13,16H,9-10,12,14-15H2,1-4H3,(H2,28,30);6-9,12,14H,5,10-11,13,15H2,1-4H3,(H2,26,28);5-8,11,13H,4,9-10,12,14H2,1-3H3,(H2,26,28)/t27-,28+;24-,25-;23-,24+;22-,23-/m1111/s1.
What are the key properties of 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone?
2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone has a molecular weight of 2340.68 g/mol, XLogP of 7.09, 27 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5R,10R)-8-amino-7,10-dimethyl-2-(2-methylpropylsulfonyl)-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5R,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-ethylsulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone;2-[3-[(5S,10R)-8-amino-2-(4-fluorophenyl)sulfonyl-7,10-dimethyl-6,6-dioxo-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 159388169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).