1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid

C13H19N3O2S — CID 79634682

IUPAC1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(Sc2cnccn2)C1
InChIInChI=1S/C13H19N3O2S/c1-2-16-13(12(17)18)5-3-4-10(8-13)19-11-9-14-6-7-15-11/h6-7,9-10,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyONSKBEJSZSTTDQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.94
Rot. Bonds5

About 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid

1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid (PubChem CID 79634682) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid
PubChem CID79634682
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCCC(Sc2cnccn2)C1
InChIInChI=1S/C13H19N3O2S/c1-2-16-13(12(17)18)5-3-4-10(8-13)19-11-9-14-6-7-15-11/h6-7,9-10,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyONSKBEJSZSTTDQ-UHFFFAOYSA-N
XLogP1.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635887
1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635325
1-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxylic acid
CID 79634039
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid
CID 79654188
1-(ethylamino)-3-ethylsulfanylcyclohexane-1-carboxylic acid
CID 79638049
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
CID 79635146
1-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)cyclohexane-1-carboxylic acid
CID 106925068
methyl 1-(methylamino)-3-pyrimidin-4-ylsulfanylcyclohexane-1-carboxylate
CID 79633907
3-cyclopentylsulfanyl-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79653885
1-(ethylamino)-3-[2-(ethylamino)-2-oxoethyl]sulfanylcyclohexane-1-carboxylic acid
CID 114234386
ethyl 1-(ethylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654009

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid (CID 79634682) is 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid is CCNC1(C(=O)O)CCCC(Sc2cnccn2)C1.
What is the InChIKey of 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid?
The InChIKey is ONSKBEJSZSTTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-16-13(12(17)18)5-3-4-10(8-13)19-11-9-14-6-7-15-11/h6-7,9-10,16H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid?
1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79634682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).