N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide

C13H19N5O3S — CID 51083428

IUPACN-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H19N5O3S/c19-13(16-11-1-8-22(20,21)10-11)18-6-4-17(5-7-18)12-9-14-2-3-15-12/h2-3,9,11H,1,4-8,10H2,(H,16,19)
InChIKeyYMOBMADYOVNTLS-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.50
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 51083428) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID51083428
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H19N5O3S/c19-13(16-11-1-8-22(20,21)10-11)18-6-4-17(5-7-18)12-9-14-2-3-15-12/h2-3,9,11H,1,4-8,10H2,(H,16,19)
InChIKeyYMOBMADYOVNTLS-UHFFFAOYSA-N
XLogP-0.50
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 51083428) is N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide is O=C(NC1CCS(=O)(=O)C1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is YMOBMADYOVNTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c19-13(16-11-1-8-22(20,21)10-11)18-6-4-17(5-7-18)12-9-14-2-3-15-12/h2-3,9,11H,1,4-8,10H2,(H,16,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 325.39 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51083428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).