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

C15H22N4O3S — CID 109285251

IUPAC[5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)C1
InChIInChI=1S/C15H22N4O3S/c1-11-3-2-5-19(9-11)15(20)13-7-17-14(8-16-13)18-12-4-6-23(21,22)10-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyNTGWJBMRCSHDRD-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.95
Rot. Bonds3

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

[5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109285251) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109285251
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name[5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)C1
InChIInChI=1S/C15H22N4O3S/c1-11-3-2-5-19(9-11)15(20)13-7-17-14(8-16-13)18-12-4-6-23(21,22)10-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyNTGWJBMRCSHDRD-UHFFFAOYSA-N
XLogP0.95
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109285397
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341660
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
(3-methylpiperidin-1-yl)-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283932
(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109283106
[5-(2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288724
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285324
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288719
[5-(4-bromo-2-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288760

Frequently Asked Questions

What is the IUPAC name of [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 109285251) is [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)C1.
What is the InChIKey of [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NTGWJBMRCSHDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-11-3-2-5-19(9-11)15(20)13-7-17-14(8-16-13)18-12-4-6-23(21,22)10-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,17,18).
What are the key properties of [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone?
[5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 338.43 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109285251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).