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

C8H11N3O3S — CID 122701146

IUPAC1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
SMILESCc1cnc(C(=O)C(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)
InChIKeyFFAXQFSOBVBJFV-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.36
Rot. Bonds3

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

1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide (PubChem CID 122701146) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide.

Molecular Properties

Compound Name1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
PubChem CID122701146
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
SMILESCc1cnc(C(=O)C(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)
InChIKeyFFAXQFSOBVBJFV-UHFFFAOYSA-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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Related Compounds

(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
CID 122701180
ethane;5-methylpyrimidine-2-carboxamide
CID 171564722
1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 122702046
(1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 156514266
(2S,3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
CID 134542369
(2S,3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
CID 134541790
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide;(1R,2S)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 157079638
azetidin-1-yl-(5-methylpyrimidin-2-yl)methanone
CID 153064839
iodomethyl 5-methylpyrimidine-2-carboxylate
CID 171833423
chloro 5-methylpyrimidine-2-carboxylate
CID 176556664
2-(1-ethoxyethenyl)-5-methylpyrimidine
CID 14321001
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The IUPAC name of 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide (CID 122701146) is 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide.
What is the SMILES notation for 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The canonical SMILES for 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide is Cc1cnc(C(=O)C(C)S(N)(=O)=O)nc1.
What is the InChIKey of 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
The InChIKey is FFAXQFSOBVBJFV-UHFFFAOYSA-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).
What are the key properties of 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide?
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 1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide is sourced from PubChem (CID 122701146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).