ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate

C15H23N3O2S — CID 63381711

IUPACethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate
SMILESCCOC(=O)C(C)(CCCSc1cnccn1)NC1CC1
InChIInChI=1S/C15H23N3O2S/c1-3-20-14(19)15(2,18-12-5-6-12)7-4-10-21-13-11-16-8-9-17-13/h8-9,11-12,18H,3-7,10H2,1-2H3
InChIKeyCVTCDAWQOGDANT-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.42
Rot. Bonds9

About ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate

ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate (PubChem CID 63381711) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate
PubChem CID63381711
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Nameethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate
SMILESCCOC(=O)C(C)(CCCSc1cnccn1)NC1CC1
InChIInChI=1S/C15H23N3O2S/c1-3-20-14(19)15(2,18-12-5-6-12)7-4-10-21-13-11-16-8-9-17-13/h8-9,11-12,18H,3-7,10H2,1-2H3
InChIKeyCVTCDAWQOGDANT-UHFFFAOYSA-N
XLogP2.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(cyclopropylamino)-2-methyl-6-(1,3-oxazol-2-ylsulfanyl)hexanoate
CID 106924832
ethyl 2-(cyclopropylamino)-2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanoate
CID 62255095
2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanenitrile
CID 63381531
methyl 2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanoate
CID 63381624
2-(ethylamino)-2-methyl-6-pyrazin-2-ylsulfanylhexanamide
CID 55247550
ethyl 2-(cyclopropylamino)-2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 55227872
2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
CID 63696970
2-methyl-2-(methylamino)-6-pyrazin-2-ylsulfanylhexanamide
CID 63381623
ethyl 2-(cyclopropylamino)-2-methyl-6-pentylsulfanylhexanoate
CID 107755513
methyl 2-(cyclopropylamino)-5-(1H-imidazol-2-ylsulfanyl)-2-methylpentanoate
CID 114000941
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
2-amino-2-methyl-5-pyrazin-2-ylsulfanylpentan-1-ol
CID 64807370

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate (CID 63381711) is ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate is CCOC(=O)C(C)(CCCSc1cnccn1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate?
The InChIKey is CVTCDAWQOGDANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-20-14(19)15(2,18-12-5-6-12)7-4-10-21-13-11-16-8-9-17-13/h8-9,11-12,18H,3-7,10H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate?
ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate has a molecular weight of 309.43 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-2-methyl-5-pyrazin-2-ylsulfanylpentanoate is sourced from PubChem (CID 63381711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).