3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine

C16H21FN2O5S — CID 177010953

IUPAC3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine
SMILESCCC(CC)c1ccc(NC2CCC(=O)NC2=O)cc1OS(=O)(=O)F
InChIInChI=1S/C16H21FN2O5S/c1-3-10(4-2)12-6-5-11(9-14(12)24-25(17,22)23)18-13-7-8-15(20)19-16(13)21/h5-6,9-10,13,18H,3-4,7-8H2,1-2H3,(H,19,20,21)
InChIKeyUUEGHSAQVWJPIY-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.40
Rot. Bonds7

About 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine

3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine (PubChem CID 177010953) has the molecular formula C16H21FN2O5S and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine.

Molecular Properties

Compound Name3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine
PubChem CID177010953
Molecular FormulaC16H21FN2O5S
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine
SMILESCCC(CC)c1ccc(NC2CCC(=O)NC2=O)cc1OS(=O)(=O)F
InChIInChI=1S/C16H21FN2O5S/c1-3-10(4-2)12-6-5-11(9-14(12)24-25(17,22)23)18-13-7-8-15(20)19-16(13)21/h5-6,9-10,13,18H,3-4,7-8H2,1-2H3,(H,19,20,21)
InChIKeyUUEGHSAQVWJPIY-UHFFFAOYSA-N
XLogP2.40
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
3-[4-(diethylamino)-3-fluoroanilino]piperidine-2,6-dione
CID 172590343
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
3-(4-ethyl-5-fluoro-2-methoxyanilino)piperidine-2,6-dione
CID 170749804
3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
CID 169082326
3-(5-chloro-2-methoxyanilino)piperidine-2,6-dione
CID 146573113

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine?
The IUPAC name of 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine (CID 177010953) is 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine.
What is the SMILES notation for 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine?
The canonical SMILES for 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine is CCC(CC)c1ccc(NC2CCC(=O)NC2=O)cc1OS(=O)(=O)F.
What is the InChIKey of 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine?
The InChIKey is UUEGHSAQVWJPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O5S/c1-3-10(4-2)12-6-5-11(9-14(12)24-25(17,22)23)18-13-7-8-15(20)19-16(13)21/h5-6,9-10,13,18H,3-4,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine?
3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine has a molecular weight of 372.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorosulfonyloxy-4-pentan-3-ylanilino)-2,6-dioxopiperidine is sourced from PubChem (CID 177010953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).