2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol

C10H15N3OS — CID 64805495

IUPAC2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESNC(CO)(CSc1cnccn1)C1CC1
InChIInChI=1S/C10H15N3OS/c11-10(6-14,8-1-2-8)7-15-9-5-12-3-4-13-9/h3-5,8,14H,1-2,6-7,11H2
InChIKeyKWSBSNBLNWICJM-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.67
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol

2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol (PubChem CID 64805495) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol
PubChem CID64805495
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol
SMILESNC(CO)(CSc1cnccn1)C1CC1
InChIInChI=1S/C10H15N3OS/c11-10(6-14,8-1-2-8)7-15-9-5-12-3-4-13-9/h3-5,8,14H,1-2,6-7,11H2
InChIKeyKWSBSNBLNWICJM-UHFFFAOYSA-N
XLogP0.67
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol (CID 64805495) is 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol is NC(CO)(CSc1cnccn1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol?
The InChIKey is KWSBSNBLNWICJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-10(6-14,8-1-2-8)7-15-9-5-12-3-4-13-9/h3-5,8,14H,1-2,6-7,11H2.
What are the key properties of 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol?
2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol has a molecular weight of 225.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-pyrazin-2-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64805495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).