[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

C16H24N4O3S — CID 109285397

IUPAC[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(N(C)C3CCS(=O)(=O)C3)cn2)C1
InChIInChI=1S/C16H24N4O3S/c1-12-4-3-6-20(10-12)16(21)14-8-18-15(9-17-14)19(2)13-5-7-24(22,23)11-13/h8-9,12-13H,3-7,10-11H2,1-2H3
InChIKeyJCDZYAWSKVKANT-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.97
Rot. Bonds3

About [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone

[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109285397) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109285397
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(N(C)C3CCS(=O)(=O)C3)cn2)C1
InChIInChI=1S/C16H24N4O3S/c1-12-4-3-6-20(10-12)16(21)14-8-18-15(9-17-14)19(2)13-5-7-24(22,23)11-13/h8-9,12-13H,3-7,10-11H2,1-2H3
InChIKeyJCDZYAWSKVKANT-UHFFFAOYSA-N
XLogP0.97
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109122933
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271203
[5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109285251
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109310076
[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113352
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
CID 108989402
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-phenylpyrazine-2-carboxamide
CID 109285400
azepan-1-yl-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-pyridinyl]methanone
CID 109173464
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277491
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109193969
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109285441
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285416

Frequently Asked Questions

What is the IUPAC name of [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 109285397) is [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnc(N(C)C3CCS(=O)(=O)C3)cn2)C1.
What is the InChIKey of [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JCDZYAWSKVKANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-12-4-3-6-20(10-12)16(21)14-8-18-15(9-17-14)19(2)13-5-7-24(22,23)11-13/h8-9,12-13H,3-7,10-11H2,1-2H3.
What are the key properties of [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 352.46 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109285397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).