2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide

C8H10N4O2S2 — CID 107553071

IUPAC2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide
SMILESCc1cc(C#N)nc(SCCS(N)(=O)=O)n1
InChIInChI=1S/C8H10N4O2S2/c1-6-4-7(5-9)12-8(11-6)15-2-3-16(10,13)14/h4H,2-3H2,1H3,(H2,10,13,14)
InChIKeyJTZFOYZARFQJEK-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.04
Rot. Bonds4

About 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide

2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide (PubChem CID 107553071) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide.

Molecular Properties

Compound Name2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide
PubChem CID107553071
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide
SMILESCc1cc(C#N)nc(SCCS(N)(=O)=O)n1
InChIInChI=1S/C8H10N4O2S2/c1-6-4-7(5-9)12-8(11-6)15-2-3-16(10,13)14/h4H,2-3H2,1H3,(H2,10,13,14)
InChIKeyJTZFOYZARFQJEK-UHFFFAOYSA-N
XLogP0.04
TPSA109.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide?
The IUPAC name of 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide (CID 107553071) is 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide.
What is the SMILES notation for 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide?
The canonical SMILES for 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide is Cc1cc(C#N)nc(SCCS(N)(=O)=O)n1.
What is the InChIKey of 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide?
The InChIKey is JTZFOYZARFQJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c1-6-4-7(5-9)12-8(11-6)15-2-3-16(10,13)14/h4H,2-3H2,1H3,(H2,10,13,14).
What are the key properties of 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide?
2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide has a molecular weight of 258.33 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-6-methylpyrimidin-2-yl)sulfanylethanesulfonamide is sourced from PubChem (CID 107553071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).