[(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate

C95H105ClF3N17O21S8 — CID 158527004

IUPAC[(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate
SMILESCc1ccccc1OCc1csc(C(=O)c2cncnc2C[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)c1.NS(=O)(=O)OC[C@H]1C[C@@H](Cc2ncncc2C(=O)c2cc(CN3CCn4ccnc4C3)cs2)C[C@@H]1O.NS(=O)(=O)OC[C@H]1C[C@@H](Cc2ncncc2C(=O)c2cc(CN3Cc4ccccc4C3)cs2)C[C@@H]1O.NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)C2=CC(Sc3cccc(C(F)(F)F)c3)=C(Cl)C2)C[C@@H]1O
InChIInChI=1S/C25H28N4O5S2.C24H27N3O6S2.C23H22ClF3N4O5S2.C23H28N6O5S2/c26-36(32,33)34-13-20-5-16(7-23(20)30)6-22-21(9-27-15-28-22)25(31)24-8-17(14-35-24)10-29-11-18-3-1-2-4-19(18)12-29;1-15-4-2-3-5-22(15)32-11-17-9-23(34-13-17)24(29)19-10-26-14-27-20(19)7-16-6-18(21(28)8-16)12-33-35(25,30)31;24-18-5-12(6-20(18)37-16-3-1-2-14(7-16)23(25,26)27)21(33)17-9-29-11-30-22(17)31-15-4-13(19(32)8-15)10-36-38(28,34)35;24-36(32,33)34-12-17-5-15(7-20(17)30)6-19-18(9-25-14-27-19)23(31)21-8-16(13-35-21)10-28-3-4-29-2-1-26-22(29)11-28/h1-4,8-9,14-16,20,23,30H,5-7,10-13H2,(H2,26,32,33);2-5,9-10,13-14,16,18,21,28H,6-8,11-12H2,1H3,(H2,25,30,31);1-3,6-7,9,11,13,15,19,32H,4-5,8,10H2,(H2,28,34,35)(H,29,30,31);1-2,8-9,13-15,17,20,30H,3-7,10-12H2,(H2,24,32,33)/t16-,20+,23-;16-,18+,21-;13-,15-,19+;15-,17+,20-/m0010/s1
InChIKeyHMXDDPQBQOESTL-LMGJSAAFSA-N
MW2169.97 g/mol
LogP10.39
Rot. Bonds37

About [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate

[(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate (PubChem CID 158527004) has the molecular formula C95H105ClF3N17O21S8 and a molecular weight of 2169.97 g/mol. Its IUPAC name is [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate
PubChem CID158527004
Molecular FormulaC95H105ClF3N17O21S8
Molecular Weight2169.97 g/mol
Exact Mass2167.51
IUPAC Name[(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate
SMILESCc1ccccc1OCc1csc(C(=O)c2cncnc2C[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)c1.NS(=O)(=O)OC[C@H]1C[C@@H](Cc2ncncc2C(=O)c2cc(CN3CCn4ccnc4C3)cs2)C[C@@H]1O.NS(=O)(=O)OC[C@H]1C[C@@H](Cc2ncncc2C(=O)c2cc(CN3Cc4ccccc4C3)cs2)C[C@@H]1O.NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)C2=CC(Sc3cccc(C(F)(F)F)c3)=C(Cl)C2)C[C@@H]1O
InChIInChI=1S/C25H28N4O5S2.C24H27N3O6S2.C23H22ClF3N4O5S2.C23H28N6O5S2/c26-36(32,33)34-13-20-5-16(7-23(20)30)6-22-21(9-27-15-28-22)25(31)24-8-17(14-35-24)10-29-11-18-3-1-2-4-19(18)12-29;1-15-4-2-3-5-22(15)32-11-17-9-23(34-13-17)24(29)19-10-26-14-27-20(19)7-16-6-18(21(28)8-16)12-33-35(25,30)31;24-18-5-12(6-20(18)37-16-3-1-2-14(7-16)23(25,26)27)21(33)17-9-29-11-30-22(17)31-15-4-13(19(32)8-15)10-36-38(28,34)35;24-36(32,33)34-12-17-5-15(7-20(17)30)6-19-18(9-25-14-27-19)23(31)21-8-16(13-35-21)10-28-3-4-29-2-1-26-22(29)11-28/h1-4,8-9,14-16,20,23,30H,5-7,10-13H2,(H2,26,32,33);2-5,9-10,13-14,16,18,21,28H,6-8,11-12H2,1H3,(H2,25,30,31);1-3,6-7,9,11,13,15,19,32H,4-5,8,10H2,(H2,28,34,35)(H,29,30,31);1-2,8-9,13-15,17,20,30H,3-7,10-12H2,(H2,24,32,33)/t16-,20+,23-;16-,18+,21-;13-,15-,19+;15-,17+,20-/m0010/s1
InChIKeyHMXDDPQBQOESTL-LMGJSAAFSA-N
XLogP10.39
TPSA575.44 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002169.97
LogP ≤ 510.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate with MolForge

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Related Compounds

[(1R,2S,4R)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118639093
[(1R,2S,4R)-4-[[5-[4-[(2-chlorophenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118638947
[(1R,2S,4R)-4-[[5-[4-[(2,3-dichlorophenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118639231
[(1R,2S,4S)-4-[[5-[4-[(2,3-dichlorophenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate
CID 161039721
[(1R,2S,4S)-4-[[5-[4-[(2-bromophenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate
CID 157474277
[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(S)-[3-(trifluoromethyl)phenyl]sulfinyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 118647782
[(1R,2S,4R)-4-[[5-[4-[(5-chloro-2-pyridinyl)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 153016503
[(1R,2S,4R)-4-[[5-[4-[(3-bromophenyl)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118639030
[(1R,2S,4R)-4-[[5-(4-acetylthiophene-2-carbonyl)pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118639315
[(1R,2S,4S)-4-[[5-[4-(2,5-dihydropyrrol-1-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;2-[(1R,2S,4S)-4-[[5-[4-[[3-[(dimethylamino)methyl]indol-1-yl]methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]ethanesulfonamide;[(1R,2S,4R)-2-hydroxy-4-[[5-[4-(2-hydroxypropan-2-yl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-(3-phenylpropyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate
CID 159100410
[(1R,2S,4R)-2-hydroxy-4-[[5-[5-methyl-4-[(1S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-1-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 118647734
[(1R,2S,4R)-4-[[5-[4-[(1S)-7-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]thiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
CID 118628838

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate?
The IUPAC name of [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate (CID 158527004) is [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate?
The canonical SMILES for [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate is Cc1ccccc1OCc1csc(C(=O)c2cncnc2C[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)c1.NS(=O)(=O)OC[C@H]1C[C@@H](Cc2ncncc2C(=O)c2cc(CN3CCn4ccnc4C3)cs2)C[C@@H]1O.NS(=O)(=O)OC[C@H]1C[C@@H](Cc2ncncc2C(=O)c2cc(CN3Cc4ccccc4C3)cs2)C[C@@H]1O.NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)C2=CC(Sc3cccc(C(F)(F)F)c3)=C(Cl)C2)C[C@@H]1O.
What is the InChIKey of [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate?
The InChIKey is HMXDDPQBQOESTL-LMGJSAAFSA-N. The full InChI is InChI=1S/C25H28N4O5S2.C24H27N3O6S2.C23H22ClF3N4O5S2.C23H28N6O5S2/c26-36(32,33)34-13-20-5-16(7-23(20)30)6-22-21(9-27-15-28-22)25(31)24-8-17(14-35-24)10-29-11-18-3-1-2-4-19(18)12-29;1-15-4-2-3-5-22(15)32-11-17-9-23(34-13-17)24(29)19-10-26-14-27-20(19)7-16-6-18(21(28)8-16)12-33-35(25,30)31;24-18-5-12(6-20(18)37-16-3-1-2-14(7-16)23(25,26)27)21(33)17-9-29-11-30-22(17)31-15-4-13(19(32)8-15)10-36-38(28,34)35;24-36(32,33)34-12-17-5-15(7-20(17)30)6-19-18(9-25-14-27-19)23(31)21-8-16(13-35-21)10-28-3-4-29-2-1-26-22(29)11-28/h1-4,8-9,14-16,20,23,30H,5-7,10-13H2,(H2,26,32,33);2-5,9-10,13-14,16,18,21,28H,6-8,11-12H2,1H3,(H2,25,30,31);1-3,6-7,9,11,13,15,19,32H,4-5,8,10H2,(H2,28,34,35)(H,29,30,31);1-2,8-9,13-15,17,20,30H,3-7,10-12H2,(H2,24,32,33)/t16-,20+,23-;16-,18+,21-;13-,15-,19+;15-,17+,20-/m0010/s1.
What are the key properties of [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate?
[(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate has a molecular weight of 2169.97 g/mol, XLogP of 10.39, 37 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-4-[[5-[4-chloro-3-[3-(trifluoromethyl)phenyl]sulfanylcyclopenta-1,3-diene-1-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-4-[[5-[4-(1,3-dihydroisoindol-2-ylmethyl)thiophene-2-carbonyl]pyrimidin-4-yl]methyl]-2-hydroxycyclopentyl]methyl sulfamate;[(1R,2S,4S)-2-hydroxy-4-[[5-[4-[(2-methylphenoxy)methyl]thiophene-2-carbonyl]pyrimidin-4-yl]methyl]cyclopentyl]methyl sulfamate is sourced from PubChem (CID 158527004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).