4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide

C12H15N3O4S — CID 742569

IUPAC4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
SMILESCN1C(=O)C[C@@H](NCc2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C12H15N3O4S/c1-15-11(16)6-10(12(15)17)14-7-8-2-4-9(5-3-8)20(13,18)19/h2-5,10,14H,6-7H2,1H3,(H2,13,18,19)/t10-/m1/s1
InChIKeyNHCRIZAUQBOVQE-SNVBAGLBSA-N
MW297.34 g/mol
LogP-0.82
Rot. Bonds4

About 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide

4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide (PubChem CID 742569) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
PubChem CID742569
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
SMILESCN1C(=O)C[C@@H](NCc2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C12H15N3O4S/c1-15-11(16)6-10(12(15)17)14-7-8-2-4-9(5-3-8)20(13,18)19/h2-5,10,14H,6-7H2,1H3,(H2,13,18,19)/t10-/m1/s1
InChIKeyNHCRIZAUQBOVQE-SNVBAGLBSA-N
XLogP-0.82
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 2858584
4-[[[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1418366
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1118623
ethyl 4-[(3R)-2,5-dioxo-3-[(4-sulfamoylphenyl)methylamino]pyrrolidin-1-yl]benzoate
CID 2230774
3-[(3-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 60872220
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
3-[(3-chloro-5-fluorophenyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 114452960
4-[2-[[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 7318799
4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1420538
4-[(4-hydroxyphenyl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115715625
3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione
CID 115524066

Frequently Asked Questions

What is the IUPAC name of 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide (CID 742569) is 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide is CN1C(=O)C[C@@H](NCc2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
The InChIKey is NHCRIZAUQBOVQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-15-11(16)6-10(12(15)17)14-7-8-2-4-9(5-3-8)20(13,18)19/h2-5,10,14H,6-7H2,1H3,(H2,13,18,19)/t10-/m1/s1.
What are the key properties of 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide?
4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 742569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).