5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide

C13H20N4O3S — CID 109271203

IUPAC5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C13H20N4O3S/c1-9(2)16-13(18)11-6-15-12(7-14-11)17(3)10-4-5-21(19,20)8-10/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyYLPWNTSNLMBALJ-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.24
Rot. Bonds4

About 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109271203) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109271203
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C13H20N4O3S/c1-9(2)16-13(18)11-6-15-12(7-14-11)17(3)10-4-5-21(19,20)8-10/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyYLPWNTSNLMBALJ-UHFFFAOYSA-N
XLogP0.24
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-phenylpyrazine-2-carboxamide
CID 109285400
[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109285397
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282934
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-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285416
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109285441
1-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043036
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338884
N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109111581
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341
N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide
CID 109362544
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275699

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide (CID 109271203) is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide is CC(C)NC(=O)c1cnc(N(C)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is YLPWNTSNLMBALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9(2)16-13(18)11-6-15-12(7-14-11)17(3)10-4-5-21(19,20)8-10/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 0.24, 4 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)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109271203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).