2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane

C12H20N2OS — CID 178061321

IUPAC2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane
SMILESC=Cc1c(SCCO)cc(N)nc1C.CC
InChIInChI=1S/C10H14N2OS.C2H6/c1-3-8-7(2)12-10(11)6-9(8)14-5-4-13;1-2/h3,6,13H,1,4-5H2,2H3,(H2,11,12);1-2H3
InChIKeyMXSUEZDJCAIPLF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.73
Rot. Bonds4

About 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane

2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane (PubChem CID 178061321) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane.

Molecular Properties

Compound Name2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane
PubChem CID178061321
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane
SMILESC=Cc1c(SCCO)cc(N)nc1C.CC
InChIInChI=1S/C10H14N2OS.C2H6/c1-3-8-7(2)12-10(11)6-9(8)14-5-4-13;1-2/h3,6,13H,1,4-5H2,2H3,(H2,11,12);1-2H3
InChIKeyMXSUEZDJCAIPLF-UHFFFAOYSA-N
XLogP2.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane?
The IUPAC name of 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane (CID 178061321) is 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane.
What is the SMILES notation for 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane?
The canonical SMILES for 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane is C=Cc1c(SCCO)cc(N)nc1C.CC.
What is the InChIKey of 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane?
The InChIKey is MXSUEZDJCAIPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.C2H6/c1-3-8-7(2)12-10(11)6-9(8)14-5-4-13;1-2/h3,6,13H,1,4-5H2,2H3,(H2,11,12);1-2H3.
What are the key properties of 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane?
2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane has a molecular weight of 240.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-ethenyl-2-methyl-4-pyridinyl)sulfanyl]ethanol;ethane is sourced from PubChem (CID 178061321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).