ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate

C12H17N3O2S — CID 55247358

IUPACethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate
SMILESCCOC(=O)C(CSc1cnccn1)NC1CC1
InChIInChI=1S/C12H17N3O2S/c1-2-17-12(16)10(15-9-3-4-9)8-18-11-7-13-5-6-14-11/h5-7,9-10,15H,2-4,8H2,1H3
InChIKeyYVLGPBXESRBOHA-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.25
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate

ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate (PubChem CID 55247358) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate
PubChem CID55247358
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Nameethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate
SMILESCCOC(=O)C(CSc1cnccn1)NC1CC1
InChIInChI=1S/C12H17N3O2S/c1-2-17-12(16)10(15-9-3-4-9)8-18-11-7-13-5-6-14-11/h5-7,9-10,15H,2-4,8H2,1H3
InChIKeyYVLGPBXESRBOHA-UHFFFAOYSA-N
XLogP1.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate (CID 55247358) is ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate is CCOC(=O)C(CSc1cnccn1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate?
The InChIKey is YVLGPBXESRBOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-17-12(16)10(15-9-3-4-9)8-18-11-7-13-5-6-14-11/h5-7,9-10,15H,2-4,8H2,1H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate?
ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate has a molecular weight of 267.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-pyrazin-2-ylsulfanylpropanoate is sourced from PubChem (CID 55247358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).