[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone

C12H18N4OS — CID 114238348

IUPAC[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCNc1cnc(C(=O)N2CCC(SC)CC2)cn1
InChIInChI=1S/C12H18N4OS/c1-13-11-8-14-10(7-15-11)12(17)16-5-3-9(18-2)4-6-16/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyMVOYDONYPXCIBZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.49
Rot. Bonds3

About [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone

[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone (PubChem CID 114238348) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
PubChem CID114238348
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCNc1cnc(C(=O)N2CCC(SC)CC2)cn1
InChIInChI=1S/C12H18N4OS/c1-13-11-8-14-10(7-15-11)12(17)16-5-3-9(18-2)4-6-16/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyMVOYDONYPXCIBZ-UHFFFAOYSA-N
XLogP1.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
(3,4-dimethoxypyrrolidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107377317
5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide
CID 114124411
(2,2-dimethylmorpholin-4-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374614
[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107375092
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
(3-methoxy-3-methylpiperidin-1-yl)-[5-(methylamino)pyrazin-2-yl]methanone
CID 107394944
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
[5-(3,5-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275170
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
[5-(cyclopentylamino)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109274083
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378243

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone?
The IUPAC name of [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone (CID 114238348) is [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone is CNc1cnc(C(=O)N2CCC(SC)CC2)cn1.
What is the InChIKey of [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone?
The InChIKey is MVOYDONYPXCIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-13-11-8-14-10(7-15-11)12(17)16-5-3-9(18-2)4-6-16/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone?
[5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone has a molecular weight of 266.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)pyrazin-2-yl]-(4-methylsulfanylpiperidin-1-yl)methanone is sourced from PubChem (CID 114238348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).