1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol

C8H13N3OS — CID 63380950

IUPAC1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCNCC(O)CSc1cnccn1
InChIInChI=1S/C8H13N3OS/c1-9-4-7(12)6-13-8-5-10-2-3-11-8/h2-3,5,7,9,12H,4,6H2,1H3
InChIKeyMDSUNIIBJCXOBG-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.15
Rot. Bonds5

About 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol

1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (PubChem CID 63380950) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
PubChem CID63380950
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
SMILESCNCC(O)CSc1cnccn1
InChIInChI=1S/C8H13N3OS/c1-9-4-7(12)6-13-8-5-10-2-3-11-8/h2-3,5,7,9,12H,4,6H2,1H3
InChIKeyMDSUNIIBJCXOBG-UHFFFAOYSA-N
XLogP0.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Fluoro-3-(pyrazin-2-ylsulfanyl)propan-2-ol
CID 165787014
1-Pyrazin-2-ylsulfinylpropan-2-ol
CID 10797639
4-ethoxy-N-(2-pyrazin-2-ylsulfanylethyl)butan-1-amine
CID 55248327
N-(2-hydroxyethyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63380715
3-Pyrazin-2-ylsulfanylpropan-1-ol
CID 63380716
4-Pyrazin-2-ylsulfanylbutan-1-ol
CID 63380721
1-Pyrazin-2-ylsulfanylpropan-2-ol
CID 63380760
1-Pyrazin-2-ylsulfanylbutan-2-ol
CID 63380761
1-Amino-3-pyrazin-2-ylsulfanylpropan-2-ol
CID 63380949
1-(Cyclopropylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
CID 63380951
2-Ethoxy-4-pyrazin-2-ylsulfanylbutan-1-amine
CID 63380958
1-(Propan-2-ylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol
CID 63380999

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol (CID 63380950) is 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is CNCC(O)CSc1cnccn1.
What is the InChIKey of 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
The InChIKey is MDSUNIIBJCXOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-9-4-7(12)6-13-8-5-10-2-3-11-8/h2-3,5,7,9,12H,4,6H2,1H3.
What are the key properties of 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol?
1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol has a molecular weight of 199.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-pyrazin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 63380950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).