2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole

C18H24N4O5S — CID 108564716

IUPAC2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole
SMILESCN(C)S(=O)(=O)NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C18H24N4O5S/c1-20(2)28(26,27)19-13-7-10-21(11-8-13)16(23)9-12-22-17(24)14-5-3-4-6-15(14)18(22)25/h3-6,13,19H,7-12H2,1-2H3
InChIKeyUSAALJBHKRXPSH-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.06
Rot. Bonds6

About 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole

2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole (PubChem CID 108564716) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole.

Molecular Properties

Compound Name2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole
PubChem CID108564716
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole
SMILESCN(C)S(=O)(=O)NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C18H24N4O5S/c1-20(2)28(26,27)19-13-7-10-21(11-8-13)16(23)9-12-22-17(24)14-5-3-4-6-15(14)18(22)25/h3-6,13,19H,7-12H2,1-2H3
InChIKeyUSAALJBHKRXPSH-UHFFFAOYSA-N
XLogP0.06
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dioxoisoindole
CID 108564651
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108566307
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
4-(dimethylsulfamoylamino)-1-(4-oxopentanoyl)piperidine
CID 108567103
2-[3-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90590163
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556376
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558162
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550045
2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 51323644

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole?
The IUPAC name of 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole (CID 108564716) is 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole.
What is the SMILES notation for 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole?
The canonical SMILES for 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole is CN(C)S(=O)(=O)NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole?
The InChIKey is USAALJBHKRXPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-20(2)28(26,27)19-13-7-10-21(11-8-13)16(23)9-12-22-17(24)14-5-3-4-6-15(14)18(22)25/h3-6,13,19H,7-12H2,1-2H3.
What are the key properties of 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole?
2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole has a molecular weight of 408.48 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole is sourced from PubChem (CID 108564716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).