1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione

C12H15N3O4S — CID 114598952

IUPAC1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2ncccc2S(C)(=O)=O)C1=O
InChIInChI=1S/C12H15N3O4S/c1-15-10(16)6-5-8(12(15)17)14-11-9(20(2,18)19)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyVETUPFJQUGIIBA-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.04
Rot. Bonds3

About 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione

1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione (PubChem CID 114598952) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione
PubChem CID114598952
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2ncccc2S(C)(=O)=O)C1=O
InChIInChI=1S/C12H15N3O4S/c1-15-10(16)6-5-8(12(15)17)14-11-9(20(2,18)19)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyVETUPFJQUGIIBA-UHFFFAOYSA-N
XLogP0.04
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.04
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

3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione
CID 113370978
3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 114598779
N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpyridin-2-amine
CID 114598832
N-(2,2-dimethylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 114598974
N-cyclohex-3-en-1-yl-3-methylsulfonylpyridin-2-amine
CID 114598944
3-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114598848
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfonylpyridin-2-amine
CID 114598691
N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 106544504
2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544747
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924824
3-[(3-chloro-4-pyridinyl)amino]-1-methylpiperidine-2,6-dione
CID 79840717
N-(3-ethoxycyclobutyl)-3-methylsulfonylpyridin-2-amine
CID 106545829

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione (CID 114598952) is 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione is CN1C(=O)CCC(Nc2ncccc2S(C)(=O)=O)C1=O.
What is the InChIKey of 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione?
The InChIKey is VETUPFJQUGIIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-15-10(16)6-5-8(12(15)17)14-11-9(20(2,18)19)4-3-7-13-11/h3-4,7-8H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione?
1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione has a molecular weight of 297.34 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 114598952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).