N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide

C15H19N3O6S2 — CID 56586881

IUPACN-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)CC1)S(C)(=O)=O
InChIInChI=1S/C15H19N3O6S2/c1-17(25(2,21)22)10-5-7-18(8-6-10)26(23,24)11-3-4-12-13(9-11)15(20)16-14(12)19/h3-4,9-10H,5-8H2,1-2H3,(H,16,19,20)
InChIKeyOLAMNPMYBVBNEZ-UHFFFAOYSA-N
MW401.47 g/mol
LogP-0.39
Rot. Bonds4

About N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide

N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 56586881) has the molecular formula C15H19N3O6S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID56586881
Molecular FormulaC15H19N3O6S2
Molecular Weight401.47 g/mol
Exact Mass401.07
IUPAC NameN-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)CC1)S(C)(=O)=O
InChIInChI=1S/C15H19N3O6S2/c1-17(25(2,21)22)10-5-7-18(8-6-10)26(23,24)11-3-4-12-13(9-11)15(20)16-14(12)19/h3-4,9-10H,5-8H2,1-2H3,(H,16,19,20)
InChIKeyOLAMNPMYBVBNEZ-UHFFFAOYSA-N
XLogP-0.39
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737342
N-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 48737336
5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylisoindole-1,3-dione
CID 56561984
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
CID 56586749
5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
CID 100820359
N-(1,3-dioxoisoindol-5-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935227
2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylisoindole-1,3-dione
CID 119978462
5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonylisoindole-1,3-dione
CID 56587283
3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
CID 50759969
1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
CID 20938186
5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione
CID 119990661

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide (CID 56586881) is N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is OLAMNPMYBVBNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S2/c1-17(25(2,21)22)10-5-7-18(8-6-10)26(23,24)11-3-4-12-13(9-11)15(20)16-14(12)19/h3-4,9-10H,5-8H2,1-2H3,(H,16,19,20).
What are the key properties of N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 401.47 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 56586881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).