3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide

C8H13N5O2S2 — CID 106339226

IUPAC3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
SMILESCNS(=O)(=O)CCNc1nccnc1C(N)=S
InChIInChI=1S/C8H13N5O2S2/c1-10-17(14,15)5-4-13-8-6(7(9)16)11-2-3-12-8/h2-3,10H,4-5H2,1H3,(H2,9,16)(H,12,13)
InChIKeyYBMAMONVFOSCGS-UHFFFAOYSA-N
MW275.36 g/mol
LogP-0.93
Rot. Bonds6

About 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide

3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide (PubChem CID 106339226) has the molecular formula C8H13N5O2S2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
PubChem CID106339226
Molecular FormulaC8H13N5O2S2
Molecular Weight275.36 g/mol
Exact Mass275.05
IUPAC Name3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
SMILESCNS(=O)(=O)CCNc1nccnc1C(N)=S
InChIInChI=1S/C8H13N5O2S2/c1-10-17(14,15)5-4-13-8-6(7(9)16)11-2-3-12-8/h2-3,10H,4-5H2,1H3,(H2,9,16)(H,12,13)
InChIKeyYBMAMONVFOSCGS-UHFFFAOYSA-N
XLogP-0.93
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(methylsulfamoyl)ethylamino]pyridine-2-carbothioamide
CID 106339198
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106341535
3-[2-(dimethylamino)ethylamino]pyrazine-2-carbothioamide
CID 62684601
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
3-[2-[di(propan-2-yl)amino]ethylamino]pyrazine-2-carbothioamide
CID 55102943
3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide
CID 62684277
N-methyl-2-(pyrazin-2-ylamino)ethanesulfonamide
CID 106337907
3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carbothioamide
CID 55102991
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide (CID 106339226) is 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide is CNS(=O)(=O)CCNc1nccnc1C(N)=S.
What is the InChIKey of 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide?
The InChIKey is YBMAMONVFOSCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S2/c1-10-17(14,15)5-4-13-8-6(7(9)16)11-2-3-12-8/h2-3,10H,4-5H2,1H3,(H2,9,16)(H,12,13).
What are the key properties of 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide?
3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide has a molecular weight of 275.36 g/mol, XLogP of -0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide is sourced from PubChem (CID 106339226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).