5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide

C15H20N2O5S — CID 138018346

IUPAC5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide
SMILESCON(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H20N2O5S/c1-16(22-2)23(20,21)11-7-3-6-10-17-14(18)12-8-4-5-9-13(12)15(17)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyRMLKNEBPPKSBCY-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.28
Rot. Bonds8

About 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide

5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide (PubChem CID 138018346) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide
PubChem CID138018346
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide
SMILESCON(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H20N2O5S/c1-16(22-2)23(20,21)11-7-3-6-10-17-14(18)12-8-4-5-9-13(12)15(17)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyRMLKNEBPPKSBCY-UHFFFAOYSA-N
XLogP1.28
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
CID 19261658
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride;thiohydroxylamine
CID 145227537
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonic acid
CID 3385233
2-(3-tert-butylsulfonylpropyl)isoindole-1,3-dione
CID 163975331
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
CID 88976080
CID 88976080
2-[11-[hydroxy(dimethoxy)silyl]undecyl]isoindole-1,3-dione
CID 58517396
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide (CID 138018346) is 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide is CON(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide?
The InChIKey is RMLKNEBPPKSBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-16(22-2)23(20,21)11-7-3-6-10-17-14(18)12-8-4-5-9-13(12)15(17)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3.
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide?
5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide has a molecular weight of 340.40 g/mol, XLogP of 1.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpentane-1-sulfonamide is sourced from PubChem (CID 138018346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).