N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide

C18H25N3O4S — CID 48736556

IUPACN-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)S(C)(=O)=O
InChIInChI=1S/C18H25N3O4S/c1-19(26(2,24)25)14-8-12-20(13-9-14)10-5-11-21-17(22)15-6-3-4-7-16(15)18(21)23/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyOSSYUYLPLBXPMA-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.03
Rot. Bonds6

About N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 48736556) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID48736556
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)S(C)(=O)=O
InChIInChI=1S/C18H25N3O4S/c1-19(26(2,24)25)14-8-12-20(13-9-14)10-5-11-21-17(22)15-6-3-4-7-16(15)18(21)23/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyOSSYUYLPLBXPMA-UHFFFAOYSA-N
XLogP1.03
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
2-[3-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]isoindole-1,3-dione
CID 90542998
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
2-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 20718041
N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986980
3-(1,3-dioxoisoindol-2-yl)-N,N-dimethylpropane-1-sulfonamide
CID 19261658
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 48736556) is N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is OSSYUYLPLBXPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-19(26(2,24)25)14-8-12-20(13-9-14)10-5-11-21-17(22)15-6-3-4-7-16(15)18(21)23/h3-4,6-7,14H,5,8-13H2,1-2H3.
What are the key properties of N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 48736556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).