N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide

C16H22N4O4S — CID 58778161

IUPACN-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCN(C1CCN(c2ccc(N3CCCCC3=O)cn2)C1=O)S(C)(=O)=O
InChIInChI=1S/C16H22N4O4S/c1-18(25(2,23)24)13-8-10-20(16(13)22)14-7-6-12(11-17-14)19-9-4-3-5-15(19)21/h6-7,11,13H,3-5,8-10H2,1-2H3
InChIKeyPAEOKQYSHSFIMJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.60
Rot. Bonds4

About N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide

N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 58778161) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID58778161
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCN(C1CCN(c2ccc(N3CCCCC3=O)cn2)C1=O)S(C)(=O)=O
InChIInChI=1S/C16H22N4O4S/c1-18(25(2,23)24)13-8-10-20(16(13)22)14-7-6-12(11-17-14)19-9-4-3-5-15(19)21/h6-7,11,13H,3-5,8-10H2,1-2H3
InChIKeyPAEOKQYSHSFIMJ-UHFFFAOYSA-N
XLogP0.60
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonamide
CID 58778207
4-[6-[3-[hydroxy(sulfino)amino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-3-oxomorpholine
CID 142892045
1-(5-methyl-2-pyridinyl)piperidin-2-one
CID 58622812
N-[1-[4-[1-[[cyclobutyl(propan-2-yl)amino]methyl]cyclopropyl]phenyl]-2-oxopyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 58778166
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[5-[4-[benzyl(methyl)amino]piperidin-1-yl]sulfonyl-2-pyridinyl]pyrrolidin-2-one
CID 166097449
[[1-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-oxopyrrolidin-3-yl]-hydroxysulfonothioylamino] hypoiodite
CID 142892103
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-(4-aminophenyl)azepan-2-one
CID 58962781
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
CID 71806482

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide (CID 58778161) is N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide is CN(C1CCN(c2ccc(N3CCCCC3=O)cn2)C1=O)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is PAEOKQYSHSFIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-18(25(2,23)24)13-8-10-20(16(13)22)14-7-6-12(11-17-14)19-9-4-3-5-15(19)21/h6-7,11,13H,3-5,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-1-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 58778161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).