N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide

C13H21N5O3S — CID 71689715

IUPACN-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCCS(=O)(=O)N1CCN(CCNC(=O)c2cnccn2)CC1
InChIInChI=1S/C13H21N5O3S/c1-2-22(20,21)18-9-7-17(8-10-18)6-5-16-13(19)12-11-14-3-4-15-12/h3-4,11H,2,5-10H2,1H3,(H,16,19)
InChIKeyJCFYIPWHEOJGNU-UHFFFAOYSA-N
MW327.41 g/mol
LogP-0.83
Rot. Bonds6

About N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide

N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 71689715) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
PubChem CID71689715
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCCS(=O)(=O)N1CCN(CCNC(=O)c2cnccn2)CC1
InChIInChI=1S/C13H21N5O3S/c1-2-22(20,21)18-9-7-17(8-10-18)6-5-16-13(19)12-11-14-3-4-15-12/h3-4,11H,2,5-10H2,1H3,(H,16,19)
InChIKeyJCFYIPWHEOJGNU-UHFFFAOYSA-N
XLogP-0.83
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
CID 1233967
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 141475453
N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide
CID 47074281
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 38440983
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 71689966
N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 51088431
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 107371808
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335963

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide (CID 71689715) is N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide is CCS(=O)(=O)N1CCN(CCNC(=O)c2cnccn2)CC1.
What is the InChIKey of N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is JCFYIPWHEOJGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-2-22(20,21)18-9-7-17(8-10-18)6-5-16-13(19)12-11-14-3-4-15-12/h3-4,11H,2,5-10H2,1H3,(H,16,19).
What are the key properties of N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71689715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).