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

C25H31N3O7S2 — CID 1120272

IUPACN-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)/C(=N\O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@H](C)O1
InChIInChI=1S/C25H31N3O7S2/c1-15-11-27(12-16(2)34-15)36(30,31)19-5-7-21-22-8-6-20(10-24(22)25(26-29)23(21)9-19)37(32,33)28-13-17(3)35-18(4)14-28/h5-10,15-18,29H,11-14H2,1-4H3/b26-25-/t15-,16-,17-,18+/m0/s1
InChIKeyYRCROUKEBKDVAT-IQBBNZNISA-N
MW549.67 g/mol
LogP2.49
Rot. Bonds4

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

N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine (PubChem CID 1120272) has the molecular formula C25H31N3O7S2 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine
PubChem CID1120272
Molecular FormulaC25H31N3O7S2
Molecular Weight549.67 g/mol
Exact Mass549.16
IUPAC NameN-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)/C(=N\O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@H](C)O1
InChIInChI=1S/C25H31N3O7S2/c1-15-11-27(12-16(2)34-15)36(30,31)19-5-7-21-22-8-6-20(10-24(22)25(26-29)23(21)9-19)37(32,33)28-13-17(3)35-18(4)14-28/h5-10,15-18,29H,11-14H2,1-4H3/b26-25-/t15-,16-,17-,18+/m0/s1
InChIKeyYRCROUKEBKDVAT-IQBBNZNISA-N
XLogP2.49
TPSA125.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.67
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-one
CID 92853527
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanthracene-9,10-dione
CID 7432384
N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
CID 1137411
N-[2,7-bis[(4-methylpiperazin-4-ium-1-yl)sulfonyl]fluoren-9-ylidene]hydroxylamine
CID 3340443
(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-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine?
The IUPAC name of N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine (CID 1120272) is N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine.
What is the SMILES notation for N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine?
The canonical SMILES for N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine is C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)/C(=N\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 N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine?
The InChIKey is YRCROUKEBKDVAT-IQBBNZNISA-N. The full InChI is InChI=1S/C25H31N3O7S2/c1-15-11-27(12-16(2)34-15)36(30,31)19-5-7-21-22-8-6-20(10-24(22)25(26-29)23(21)9-19)37(32,33)28-13-17(3)35-18(4)14-28/h5-10,15-18,29H,11-14H2,1-4H3/b26-25-/t15-,16-,17-,18+/m0/s1.
What are the key properties of N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine?
N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine has a molecular weight of 549.67 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine is sourced from PubChem (CID 1120272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).