5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide

C14H22N4O4S — CID 109275699

IUPAC5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide
SMILESCCN(c1cnc(C(=O)NCCOC)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H22N4O4S/c1-3-18(11-4-7-23(20,21)10-11)13-9-16-12(8-17-13)14(19)15-5-6-22-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,19)
InChIKeyLRVSFZRYBOIYCH-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.13
Rot. Bonds7

About 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide (PubChem CID 109275699) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide
PubChem CID109275699
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide
SMILESCCN(c1cnc(C(=O)NCCOC)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H22N4O4S/c1-3-18(11-4-7-23(20,21)10-11)13-9-16-12(8-17-13)14(19)15-5-6-22-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,19)
InChIKeyLRVSFZRYBOIYCH-UHFFFAOYSA-N
XLogP-0.13
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109364851
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183862
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251715
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109294980
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277491
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271203
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338884
N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide
CID 109276240
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide
CID 113014130
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160129
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282934
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-phenylpyrazine-2-carboxamide
CID 109285400

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide (CID 109275699) is 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide is CCN(c1cnc(C(=O)NCCOC)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
The InChIKey is LRVSFZRYBOIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-3-18(11-4-7-23(20,21)10-11)13-9-16-12(8-17-13)14(19)15-5-6-22-2/h8-9,11H,3-7,10H2,1-2H3,(H,15,19).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109275699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).