2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol

C16H21N3OS — CID 116695604

IUPAC2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCCNC(CO)(CCSc1cnccn1)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-2-19-16(13-20,14-6-4-3-5-7-14)8-11-21-15-12-17-9-10-18-15/h3-7,9-10,12,19-20H,2,8,11,13H2,1H3
InChIKeySMHWZUOCEUWXCT-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.46
Rot. Bonds8

About 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol

2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol (PubChem CID 116695604) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol
PubChem CID116695604
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol
SMILESCCNC(CO)(CCSc1cnccn1)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-2-19-16(13-20,14-6-4-3-5-7-14)8-11-21-15-12-17-9-10-18-15/h3-7,9-10,12,19-20H,2,8,11,13H2,1H3
InChIKeySMHWZUOCEUWXCT-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol (CID 116695604) is 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol is CCNC(CO)(CCSc1cnccn1)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol?
The InChIKey is SMHWZUOCEUWXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-19-16(13-20,14-6-4-3-5-7-14)8-11-21-15-12-17-9-10-18-15/h3-7,9-10,12,19-20H,2,8,11,13H2,1H3.
What are the key properties of 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol?
2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol has a molecular weight of 303.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-phenyl-4-pyrazin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 116695604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).