1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide

C12H18N4OS — CID 79635887

IUPAC1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Sc2cnccn2)C1
InChIInChI=1S/C12H18N4OS/c1-14-12(11(13)17)4-2-3-9(7-12)18-10-8-15-5-6-16-10/h5-6,8-9,14H,2-4,7H2,1H3,(H2,13,17)
InChIKeyFHEFKRGPFDPMIY-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.95
Rot. Bonds4

About 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide

1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide (PubChem CID 79635887) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
PubChem CID79635887
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Sc2cnccn2)C1
InChIInChI=1S/C12H18N4OS/c1-14-12(11(13)17)4-2-3-9(7-12)18-10-8-15-5-6-16-10/h5-6,8-9,14H,2-4,7H2,1H3,(H2,13,17)
InChIKeyFHEFKRGPFDPMIY-UHFFFAOYSA-N
XLogP0.95
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(propan-2-ylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635325
1-(ethylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxylic acid
CID 79634682
3-[(5-chloro-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 79635166
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 102925709
1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
CID 79654317
1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide
CID 79634172
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
methyl 1-(methylamino)-3-pyrimidin-4-ylsulfanylcyclohexane-1-carboxylate
CID 79633907
1-(methylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carboxamide
CID 79635303
1-(methylamino)-3-(1,3-oxazol-2-ylsulfanyl)cyclohexane-1-carboxylic acid
CID 106925068
1-(methylamino)-3-(4-nitrophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635583
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
CID 79635146

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide (CID 79635887) is 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(Sc2cnccn2)C1.
What is the InChIKey of 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide?
The InChIKey is FHEFKRGPFDPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-14-12(11(13)17)4-2-3-9(7-12)18-10-8-15-5-6-16-10/h5-6,8-9,14H,2-4,7H2,1H3,(H2,13,17).
What are the key properties of 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide?
1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide is sourced from PubChem (CID 79635887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).