(2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide

C8H11N3O3S — CID 122701145

IUPAC(2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
SMILESCc1cnc(C(=O)[C@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C8H11N3O3S/c1-5-3-10-8(11-4-5)7(12)6(2)15(9,13)14/h3-4,6H,1-2H3,(H2,9,13,14)/t6-/m0/s1
InChIKeyFFAXQFSOBVBJFV-LURJTMIESA-N
MW229.26 g/mol
LogP-0.36
Rot. Bonds3

About (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide

(2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide (PubChem CID 122701145) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
PubChem CID122701145
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name(2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
SMILESCc1cnc(C(=O)[C@H](C)S(N)(=O)=O)nc1
InChIInChI=1S/C8H11N3O3S/c1-5-3-10-8(11-4-5)7(12)6(2)15(9,13)14/h3-4,6H,1-2H3,(H2,9,13,14)/t6-/m0/s1
InChIKeyFFAXQFSOBVBJFV-LURJTMIESA-N
XLogP-0.36
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The IUPAC name of (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide (CID 122701145) is (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide.
What is the SMILES notation for (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The canonical SMILES for (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide is Cc1cnc(C(=O)[C@H](C)S(N)(=O)=O)nc1.
What is the InChIKey of (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The InChIKey is FFAXQFSOBVBJFV-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-5-3-10-8(11-4-5)7(12)6(2)15(9,13)14/h3-4,6H,1-2H3,(H2,9,13,14)/t6-/m0/s1.
What are the key properties of (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
(2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide has a molecular weight of 229.26 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide is sourced from PubChem (CID 122701145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).