1-pyrazin-2-ylsulfonylpropan-2-ol

C7H10N2O3S — CID 10536106

IUPAC1-pyrazin-2-ylsulfonylpropan-2-ol
SMILESCC(O)CS(=O)(=O)c1cnccn1
InChIInChI=1S/C7H10N2O3S/c1-6(10)5-13(11,12)7-4-8-2-3-9-7/h2-4,6,10H,5H2,1H3
InChIKeyMVLSRXLGCQHTMN-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.37
Rot. Bonds3

About 1-pyrazin-2-ylsulfonylpropan-2-ol

1-pyrazin-2-ylsulfonylpropan-2-ol (PubChem CID 10536106) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-pyrazin-2-ylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-pyrazin-2-ylsulfonylpropan-2-ol
PubChem CID10536106
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name1-pyrazin-2-ylsulfonylpropan-2-ol
SMILESCC(O)CS(=O)(=O)c1cnccn1
InChIInChI=1S/C7H10N2O3S/c1-6(10)5-13(11,12)7-4-8-2-3-9-7/h2-4,6,10H,5H2,1H3
InChIKeyMVLSRXLGCQHTMN-UHFFFAOYSA-N
XLogP-0.37
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylsulfonylpropan-2-ol?
The IUPAC name of 1-pyrazin-2-ylsulfonylpropan-2-ol (CID 10536106) is 1-pyrazin-2-ylsulfonylpropan-2-ol.
What is the SMILES notation for 1-pyrazin-2-ylsulfonylpropan-2-ol?
The canonical SMILES for 1-pyrazin-2-ylsulfonylpropan-2-ol is CC(O)CS(=O)(=O)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylsulfonylpropan-2-ol?
The InChIKey is MVLSRXLGCQHTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-6(10)5-13(11,12)7-4-8-2-3-9-7/h2-4,6,10H,5H2,1H3.
What are the key properties of 1-pyrazin-2-ylsulfonylpropan-2-ol?
1-pyrazin-2-ylsulfonylpropan-2-ol has a molecular weight of 202.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylsulfonylpropan-2-ol is sourced from PubChem (CID 10536106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).