N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide

C18H21N3O3S — CID 154999229

IUPACN-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc(N3CCCCC3=O)nc2)c1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)20-12-14-5-4-6-15(11-14)16-8-9-17(19-13-16)21-10-3-2-7-18(21)22/h4-6,8-9,11,13,20H,2-3,7,10,12H2,1H3
InChIKeyRZLYYNDUDGHIJR-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.31
Rot. Bonds5

About N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide

N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide (PubChem CID 154999229) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide
PubChem CID154999229
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc(N3CCCCC3=O)nc2)c1
InChIInChI=1S/C18H21N3O3S/c1-25(23,24)20-12-14-5-4-6-15(11-14)16-8-9-17(19-13-16)21-10-3-2-7-18(21)22/h4-6,8-9,11,13,20H,2-3,7,10,12H2,1H3
InChIKeyRZLYYNDUDGHIJR-UHFFFAOYSA-N
XLogP2.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide
CID 154999224
1-(5-methyl-2-pyridinyl)piperidin-2-one
CID 58622812
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123553021
N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide
CID 59166205
N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997536
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 108782467
N-[[3-(1,2-dimethyl-3-oxo-5-quinoxalin-6-ylpyrazol-4-yl)phenyl]methyl]methanesulfonamide
CID 16730676
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide
CID 173090608
4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 122246136

Frequently Asked Questions

What is the IUPAC name of N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide (CID 154999229) is N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(-c2ccc(N3CCCCC3=O)nc2)c1.
What is the InChIKey of N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide?
The InChIKey is RZLYYNDUDGHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-25(23,24)20-12-14-5-4-6-15(11-14)16-8-9-17(19-13-16)21-10-3-2-7-18(21)22/h4-6,8-9,11,13,20H,2-3,7,10,12H2,1H3.
What are the key properties of N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide?
N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 154999229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).