7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one

C25H30N2O7S2 — CID 92853527

IUPAC7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@@H](C)O1
InChIInChI=1S/C25H30N2O7S2/c1-15-11-26(12-16(2)33-15)35(29,30)19-5-7-21-22-8-6-20(10-24(22)25(28)23(21)9-19)36(31,32)27-13-17(3)34-18(4)14-27/h5-10,15-18H,11-14H2,1-4H3/t15-,16-,17+,18+
InChIKeyDHBIPMQGIAFGHM-BALXVJCKSA-N
MW534.66 g/mol
LogP2.49
Rot. Bonds4

About 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one

7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one (PubChem CID 92853527) has the molecular formula C25H30N2O7S2 and a molecular weight of 534.66 g/mol. Its IUPAC name is 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one.

Molecular Properties

Compound Name7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
PubChem CID92853527
Molecular FormulaC25H30N2O7S2
Molecular Weight534.66 g/mol
Exact Mass534.15
IUPAC Name7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@@H](C)O1
InChIInChI=1S/C25H30N2O7S2/c1-15-11-26(12-16(2)33-15)35(29,30)19-5-7-21-22-8-6-20(10-24(22)25(28)23(21)9-19)36(31,32)27-13-17(3)34-18(4)14-27/h5-10,15-18H,11-14H2,1-4H3/t15-,16-,17+,18+
InChIKeyDHBIPMQGIAFGHM-BALXVJCKSA-N
XLogP2.49
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.66
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
CID 7432384
N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine
CID 1120272
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7366801
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
(2R,6S)-4-[4-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylmorpholine
CID 26833180
(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one?
The IUPAC name of 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one (CID 92853527) is 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one.
What is the SMILES notation for 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one?
The canonical SMILES for 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one is C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@@H](C)O1.
What is the InChIKey of 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one?
The InChIKey is DHBIPMQGIAFGHM-BALXVJCKSA-N. The full InChI is InChI=1S/C25H30N2O7S2/c1-15-11-26(12-16(2)33-15)35(29,30)19-5-7-21-22-8-6-20(10-24(22)25(28)23(21)9-19)36(31,32)27-13-17(3)34-18(4)14-27/h5-10,15-18H,11-14H2,1-4H3/t15-,16-,17+,18+.
What are the key properties of 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one?
7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one has a molecular weight of 534.66 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one is sourced from PubChem (CID 92853527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).