tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate

C12H19N3O2S — CID 118045562

IUPACtert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate
SMILESCSCCc1cnc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-10-8-13-9(7-14-10)5-6-18-4/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyKSQFOQZVTOBEIO-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.73
Rot. Bonds4

About tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate

tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate (PubChem CID 118045562) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate
PubChem CID118045562
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Nametert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate
SMILESCSCCc1cnc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-10-8-13-9(7-14-10)5-6-18-4/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyKSQFOQZVTOBEIO-UHFFFAOYSA-N
XLogP2.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate
CID 59295166
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 58970574
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
tert-butyl 2-[(5-hydrazinylpyrazin-2-yl)methylsulfanyl]acetate
CID 103062127

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate (CID 118045562) is tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate is CSCCc1cnc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate?
The InChIKey is KSQFOQZVTOBEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-10-8-13-9(7-14-10)5-6-18-4/h7-8H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate?
tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate has a molecular weight of 269.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 118045562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).