N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide

C21H30FN3O5S — CID 55849652

IUPACN-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide
SMILESCC1CN(C(=O)C2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1
InChIInChI=1S/C21H30FN3O5S/c1-15-13-25(14-16(2)30-15)21(27)17-8-11-24(12-9-17)20(26)7-10-23-31(28,29)19-5-3-18(22)4-6-19/h3-6,15-17,23H,7-14H2,1-2H3
InChIKeyLVTOMFSNYHYUCJ-UHFFFAOYSA-N
MW455.55 g/mol
LogP1.37
Rot. Bonds6

About N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide

N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide (PubChem CID 55849652) has the molecular formula C21H30FN3O5S and a molecular weight of 455.55 g/mol. Its IUPAC name is N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide
PubChem CID55849652
Molecular FormulaC21H30FN3O5S
Molecular Weight455.55 g/mol
Exact Mass455.19
IUPAC NameN-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide
SMILESCC1CN(C(=O)C2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1
InChIInChI=1S/C21H30FN3O5S/c1-15-13-25(14-16(2)30-15)21(27)17-8-11-24(12-9-17)20(26)7-10-23-31(28,29)19-5-3-18(22)4-6-19/h3-6,15-17,23H,7-14H2,1-2H3
InChIKeyLVTOMFSNYHYUCJ-UHFFFAOYSA-N
XLogP1.37
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

3-anilino-1-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]propan-1-one
CID 52512933
3-anilino-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 51122405
4-fluoro-N-[3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 99789398
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 31466785
2-[1-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]acetic acid
CID 119178388
4-fluoro-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119576233
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide
CID 38935844
N-[3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 56512576
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide
CID 55845210

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide (CID 55849652) is N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide is CC1CN(C(=O)C2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)CC(C)O1.
What is the InChIKey of N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide?
The InChIKey is LVTOMFSNYHYUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O5S/c1-15-13-25(14-16(2)30-15)21(27)17-8-11-24(12-9-17)20(26)7-10-23-31(28,29)19-5-3-18(22)4-6-19/h3-6,15-17,23H,7-14H2,1-2H3.
What are the key properties of N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide?
N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide has a molecular weight of 455.55 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 55849652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).