2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile

C13H17N3O3S — CID 53161841

IUPAC2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile
SMILESCC1CCN(S(=O)(=O)c2cccn(CC#N)c2=O)CC1
InChIInChI=1S/C13H17N3O3S/c1-11-4-8-16(9-5-11)20(18,19)12-3-2-7-15(10-6-14)13(12)17/h2-3,7,11H,4-5,8-10H2,1H3
InChIKeyQZETXGDWXZJXPQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.79
Rot. Bonds3

About 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile

2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile (PubChem CID 53161841) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile
PubChem CID53161841
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile
SMILESCC1CCN(S(=O)(=O)c2cccn(CC#N)c2=O)CC1
InChIInChI=1S/C13H17N3O3S/c1-11-4-8-16(9-5-11)20(18,19)12-3-2-7-15(10-6-14)13(12)17/h2-3,7,11H,4-5,8-10H2,1H3
InChIKeyQZETXGDWXZJXPQ-UHFFFAOYSA-N
XLogP0.79
TPSA83.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-2-(3-((4-methylpiperidin-1-yl)sulfonyl)-2-oxopyridin-1(2H)-yl)acetamide
CID 49666399
3-[(4-Methylpiperidin-1-YL)sulfonyl]-1-[2-oxo-2-(piperidin-1-YL)ethyl]-1,2-dihydropyridin-2-one
CID 53161899
1-[2-(4-Methylpiperidin-1-YL)-2-oxoethyl]-3-[(4-methylpiperidin-1-YL)sulfonyl]-1,2-dihydropyridin-2-one
CID 53161900
3-(azepan-1-ylsulfonyl)-1-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)pyridin-2(1H)-one
CID 49666457
N,N-dimethyl-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 7829061
N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 7829062
N,N-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 7829063
N,N-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]-6-oxopyridine-3-sulfonamide
CID 9193538
N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 32978768
5-(4-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 43629028
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
N,N-dimethyl-1-(3-methylbutyl)-6-oxopyridine-3-sulfonamide
CID 47025893

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile (CID 53161841) is 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile is CC1CCN(S(=O)(=O)c2cccn(CC#N)c2=O)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile?
The InChIKey is QZETXGDWXZJXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-11-4-8-16(9-5-11)20(18,19)12-3-2-7-15(10-6-14)13(12)17/h2-3,7,11H,4-5,8-10H2,1H3.
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile?
2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile has a molecular weight of 295.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-pyridinyl]acetonitrile is sourced from PubChem (CID 53161841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).